CID 104896

2-propyl-4-pentenoic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCC(CC=C)C(=O)O

InChI

InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)

InChIKey

UMYDNZXEHYSVFY-UHFFFAOYSA-N

Compound name

2-propylpent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 55
References: 152
Patents: 142.09938 Da
Monoisotopic Mass: 2.3
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]+	143.106656	132.4
[M+Na]+	165.088598	138.5
[M-H]-	141.092104	131.1
[M+NH4]+	160.133203	153.2
[M+K]+	181.062538	137.5
[M+H-H2O]+	125.096640	128.0
[M+HCOO]-	187.097581	152.9
[M+CH3COO]-	201.113231	174.3
[M+Na-2H]-	163.074046	135.4
[M]+	142.09883142	132.7
[M]-	142.09992858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe