PubChemLite - Dl-glucose (C6H12O6)

Structural Information

Molecular Formula

C₆H₁₂O₆

SMILES

C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1

InChIKey

GZCGUPFRVQAUEE-SLPGGIOYSA-N

Compound name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Related CIDs

CID 24748
CID 24749
CID 80127
CID 82308
CID 102288
CID 107526
CID 111112
CID 111123
CID 161658
CID 173055
CID 3037556
CID 3086538
CID 6328154
CID 6451569
CID 10954115
CID 21909914
CID 22814120
CID 23706213
CID 66509130
CID 71309493
CID 73014169

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.07067	138.2
[M+Na]+	203.05261	142.3
[M-H]-	179.05611	131.4
[M+NH4]+	198.09721	154.0
[M+K]+	219.02655	142.0
[M+H-H2O]+	163.06065	133.7
[M+HCOO]-	225.06159	151.9
[M+CH3COO]-	239.07724	170.0
[M+Na-2H]-	201.03806	137.4
[M]+	180.06284	135.3
[M]-	180.06394	135.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

181.07067

138.2

[M+Na]+

203.05261

142.3

[M-H]-

179.05611

131.4

[M+NH4]+

198.09721

154.0

[M+K]+

219.02655

142.0

[M+H-H2O]+

163.06065

133.7

[M+HCOO]-

225.06159

151.9

[M+CH3COO]-

239.07724

170.0

[M+Na-2H]-

201.03806

137.4

[M]+

180.06284

135.3

[M]-

180.06394

135.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dl-glucose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe