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

286
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 135.6
[M+Na]+ 177.08860 145.2
[M+NH4]+ 172.13320 145.0
[M+K]+ 193.06254 137.9
[M-H]- 153.09210 136.2
[M+Na-2H]- 175.07405 141.1
[M]+ 154.09883 137.0
[M]- 154.09993 137.0
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