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

760
Patents

140.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 131.5
[M+Na]+ 163.072938 137.1
[M-H]- 139.076444 133.1
[M+NH4]+ 158.117543 153.8
[M+K]+ 179.046878 135.4
[M+H-H2O]+ 123.080980 126.6
[M+HCOO]- 185.081921 152.5
[M+CH3COO]- 199.097571 168.9
[M+Na-2H]- 161.058386 134.2
[M]+ 140.08317142 127.6
[M]- 140.08426858 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

patents stripe