CID 110676

Hexane-1,2,5,6-tetrol

Structural Information

Molecular Formula
C6H14O4
SMILES
C(CC(CO)O)C(CO)O
InChI
InChI=1S/C6H14O4/c7-3-5(9)1-2-6(10)4-8/h5-10H,1-4H2
InChIKey
AMXRXGOSEWMPEF-UHFFFAOYSA-N
Compound name
hexane-1,2,5,6-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

642
Patents

150.0892 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.096476 134.2
[M+Na]+ 173.078418 139.1
[M-H]- 149.081924 128.7
[M+NH4]+ 168.123023 152.4
[M+K]+ 189.052358 138.0
[M+H-H2O]+ 133.086460 129.9
[M+HCOO]- 195.087401 150.8
[M+CH3COO]- 209.103051 166.6
[M+Na-2H]- 171.063866 136.4
[M]+ 150.08865142 132.2
[M]- 150.08974858 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe