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

14
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 137.3
[M+Na]+ 195.09916 143.6
[M-H]- 171.10266 138.2
[M+NH4]+ 190.14376 160.2
[M+K]+ 211.07310 142.6
[M+H-H2O]+ 155.10720 134.4
[M+HCOO]- 217.10814 154.3
[M+CH3COO]- 231.12379 173.8
[M+Na-2H]- 193.08461 142.2
[M]+ 172.10939 133.4
[M]- 172.11049 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