CID 13817418

2-cyclopentylprop-2-enoic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C=C(C1CCCC1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h7H,1-5H2,(H,9,10)
InChIKey
LLUZKGXYRDEBAQ-UHFFFAOYSA-N
Compound name
2-cyclopentylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

643
Patents

140.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 131.7
[M+Na]+ 163.07294 136.9
[M-H]- 139.07644 133.3
[M+NH4]+ 158.11754 153.8
[M+K]+ 179.04688 135.7
[M+H-H2O]+ 123.08098 126.8
[M+HCOO]- 185.08192 151.6
[M+CH3COO]- 199.09757 170.4
[M+Na-2H]- 161.05839 133.0
[M]+ 140.08317 127.2
[M]- 140.08427 127.2
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