CID 129925073

2-hydroxy-2-(1-hydroxycyclohexyl)acetic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
C1CCC(CC1)(C(C(=O)O)O)O
InChI
InChI=1S/C8H14O4/c9-6(7(10)11)8(12)4-2-1-3-5-8/h6,9,12H,1-5H2,(H,10,11)
InChIKey
OXTKODGUVUTBQV-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(1-hydroxycyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 138.7
[M+Na]+ 197.078418 142.7
[M-H]- 173.081924 137.4
[M+NH4]+ 192.123023 158.1
[M+K]+ 213.052358 141.7
[M+H-H2O]+ 157.086460 134.7
[M+HCOO]- 219.087401 153.6
[M+CH3COO]- 233.103051 170.4
[M+Na-2H]- 195.063866 141.6
[M]+ 174.08865142 132.4
[M]- 174.08974858 132.4
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

No patent data available for this compound.