CID 21518240

(e)-3-cyclopentylacrylic acid

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CCC(C1)/C=C/C(=O)O

InChI

InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h5-7H,1-4H2,(H,9,10)/b6-5+

InChIKey

MPRHIJJKVGFXRS-AATRIKPKSA-N

Compound name

(E)-3-cyclopentylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 694
Patents: 140.08372 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe