CID 24749

25191-16-6

Structural Information

Molecular Formula
C6H12O6
SMILES
C(C(C(C(C(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
InChIKey
GZCGUPFRVQAUEE-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

214592
References

634933
Patents

180.06339 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe