CID 12807238

2-cyclopentylidenepropanoic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(=C1CCCC1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2-5H2,1H3,(H,9,10)
InChIKey
CWUGOLONOBYVMN-UHFFFAOYSA-N
Compound name
2-cyclopentylidenepropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 132.1
[M+Na]+ 163.07294 140.3
[M+NH4]+ 158.11754 139.8
[M+K]+ 179.04688 137.8
[M-H]- 139.07644 131.8
[M+Na-2H]- 161.05839 134.8
[M]+ 140.08317 132.7
[M]- 140.08427 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe