CID 53401851

3-cyclopentylprop-2-enoic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC(C1)C=CC(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h5-7H,1-4H2,(H,9,10)
InChIKey
MPRHIJJKVGFXRS-UHFFFAOYSA-N
Compound name
3-cyclopentylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

705
Patents

140.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 131.5
[M+Na]+ 163.07294 137.1
[M-H]- 139.07644 133.1
[M+NH4]+ 158.11754 153.8
[M+K]+ 179.04688 135.4
[M+H-H2O]+ 123.08098 126.6
[M+HCOO]- 185.08192 152.5
[M+CH3COO]- 199.09757 168.9
[M+Na-2H]- 161.05839 134.2
[M]+ 140.08317 127.6
[M]- 140.08427 127.6
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

No patent data available for this compound.