Einecs 247-510-1 (C12H22O10)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O

InChI

InChI=1S/C12H22O10/c1-3-5(13)7(15)6(14)4(21-3)2-20-12-10(18)8(16)9(17)11(19)22-12/h3-19H,2H2,1H3/t3-,4-,5-,6-,7+,8+,9+,10-,11+,12-/m0/s1

InChIKey

MZVJLQGKLDLTTO-NIECQZCASA-N

Compound name

(2R,3R,4R,5S,6S)-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]oxane-2,3,4,5-tetrol

Related CIDs

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]+	327.128576	172.5
[M+Na]+	349.110518	176.6
[M-H]-	325.114024	171.3
[M+NH4]+	344.155123	179.5
[M+K]+	365.084458	177.2
[M+H-H2O]+	309.118560	166.4
[M+HCOO]-	371.119501	177.8
[M+CH3COO]-	385.135151	197.7
[M+Na-2H]-	347.095966	169.9
[M]+	326.12075142	169.2
[M]-	326.12184858	169.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.128576

172.5

[M+Na]+

349.110518

176.6

[M-H]-

325.114024

171.3

[M+NH4]+

344.155123

179.5

[M+K]+

365.084458

177.2

[M+H-H2O]+

309.118560

166.4

[M+HCOO]-

371.119501

177.8

[M+CH3COO]-

385.135151

197.7

[M+Na-2H]-

347.095966

169.9

[M]+

326.12075142

169.2

[M]-

326.12184858

169.2

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

Einecs 247-510-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe