CID 14713059

1-ethenylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C=CC1(CCCCC1)C(=O)O
InChI
InChI=1S/C9H14O2/c1-2-9(8(10)11)6-4-3-5-7-9/h2H,1,3-7H2,(H,10,11)
InChIKey
SQZCJGGPRDQHHQ-UHFFFAOYSA-N
Compound name
1-ethenylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.2
[M+Na]+ 177.08860 139.3
[M-H]- 153.09210 135.7
[M+NH4]+ 172.13320 156.1
[M+K]+ 193.06254 137.7
[M+H-H2O]+ 137.09664 129.8
[M+HCOO]- 199.09758 152.7
[M+CH3COO]- 213.11323 172.4
[M+Na-2H]- 175.07405 138.8
[M]+ 154.09883 129.0
[M]- 154.09993 129.0
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