CID 17802802

1-ethenylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C=CC1(CCCC1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-2-8(7(9)10)5-3-4-6-8/h2H,1,3-6H2,(H,9,10)
InChIKey
MFKLVVIVNWTPRW-UHFFFAOYSA-N
Compound name
1-ethenylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 132.0
[M+Na]+ 163.07294 140.6
[M+NH4]+ 158.11754 141.2
[M+K]+ 179.04688 135.6
[M-H]- 139.07644 131.8
[M+Na-2H]- 161.05839 136.6
[M]+ 140.08317 132.9
[M]- 140.08427 132.9
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