CID 64399140

1338971-47-3

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CCC(CC1)(C(=O)O)O)C
InChI
InChI=1S/C9H16O3/c1-8(2)3-5-9(12,6-4-8)7(10)11/h12H,3-6H2,1-2H3,(H,10,11)
InChIKey
PNWWJRHQVQFHQN-UHFFFAOYSA-N
Compound name
1-hydroxy-4,4-dimethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.3
[M+Na]+ 195.099158 143.6
[M-H]- 171.102664 138.2
[M+NH4]+ 190.143763 160.2
[M+K]+ 211.073098 142.6
[M+H-H2O]+ 155.107200 134.4
[M+HCOO]- 217.108141 154.3
[M+CH3COO]- 231.123791 173.8
[M+Na-2H]- 193.084606 142.2
[M]+ 172.10939142 133.4
[M]- 172.11048858 133.4
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

patents stripe