CID 57449962

2-(4-hydroxycyclohexyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
CC(C)(C1CCC(CC1)O)C(=O)O
InChI
InChI=1S/C10H18O3/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKey
OSYUEUGIKIJRPD-UHFFFAOYSA-N
Compound name
2-(4-hydroxycyclohexyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

186.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 142.3
[M+Na]+ 209.11482 146.7
[M-H]- 185.11832 142.5
[M+NH4]+ 204.15942 160.6
[M+K]+ 225.08876 145.3
[M+H-H2O]+ 169.12286 137.9
[M+HCOO]- 231.12380 157.5
[M+CH3COO]- 245.13945 177.8
[M+Na-2H]- 207.10027 145.0
[M]+ 186.12505 137.5
[M]- 186.12615 137.5
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