CID 59419718

4-methoxy-1-methylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CCC(CC1)OC)C(=O)O
InChI
InChI=1S/C9H16O3/c1-9(8(10)11)5-3-7(12-2)4-6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
SGLPKMBIHAOCST-UHFFFAOYSA-N
Compound name
4-methoxy-1-methylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 137.3
[M+Na]+ 195.09916 143.0
[M-H]- 171.10266 139.2
[M+NH4]+ 190.14376 158.9
[M+K]+ 211.07310 142.6
[M+H-H2O]+ 155.10720 133.1
[M+HCOO]- 217.10814 155.9
[M+CH3COO]- 231.12379 176.5
[M+Na-2H]- 193.08461 141.4
[M]+ 172.10939 134.8
[M]- 172.11049 134.8
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