CID 5282718

Cis-5-octenoic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC/C=C\CCCC(=O)O

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3-

InChIKey

RRGOKSYVAZDNKR-ARJAWSKDSA-N

Compound name

(Z)-oct-5-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1591
Patents: 142.09938 Da
Monoisotopic Mass: 1.9
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	132.3
[M+Na]+	165.088598	138.8
[M-H]-	141.092104	131.0
[M+NH4]+	160.133203	153.3
[M+K]+	181.062538	137.3
[M+H-H2O]+	125.096640	127.9
[M+HCOO]-	187.097581	153.9
[M+CH3COO]-	201.113231	172.8
[M+Na-2H]-	163.074046	136.6
[M]+	142.09883142	133.2
[M]-	142.09992858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe