CID 129925073

408330-52-9

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]+ 175.09648 138.7
[M+Na]+ 197.07842 142.7
[M-H]- 173.08192 137.4
[M+NH4]+ 192.12302 158.1
[M+K]+ 213.05236 141.7
[M+H-H2O]+ 157.08646 134.7
[M+HCOO]- 219.08740 153.6
[M+CH3COO]- 233.10305 170.4
[M+Na-2H]- 195.06387 141.6
[M]+ 174.08865 132.4
[M]- 174.08975 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.