CID 131751127

(4z)-3-methyl-4-decenoic acid

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

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

InChI

InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)/b8-7-

InChIKey

WZZXDQPNKLAUNI-FPLPWBNLSA-N

Compound name

(Z)-3-methyldec-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.14633 Da
Monoisotopic Mass: 3.4
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]+	185.153606	146.5
[M+Na]+	207.135548	151.5
[M-H]-	183.139054	144.8
[M+NH4]+	202.180153	165.8
[M+K]+	223.109488	149.7
[M+H-H2O]+	167.143590	141.6
[M+HCOO]-	229.144531	166.1
[M+CH3COO]-	243.160181	182.7
[M+Na-2H]-	205.120996	147.9
[M]+	184.14578142	147.9
[M]-	184.14687858	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe