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

38
Patents

186.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 142.3
[M+Na]+ 209.114818 146.7
[M-H]- 185.118324 142.5
[M+NH4]+ 204.159423 160.6
[M+K]+ 225.088758 145.3
[M+H-H2O]+ 169.122860 137.9
[M+HCOO]- 231.123801 157.5
[M+CH3COO]- 245.139451 177.8
[M+Na-2H]- 207.100266 145.0
[M]+ 186.12505142 137.5
[M]- 186.12614858 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