CID 118787

3-nonenoic acid, 3-methyl-

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCCCCC=C(C)CC(=O)O

InChI

InChI=1S/C10H18O2/c1-3-4-5-6-7-9(2)8-10(11)12/h7H,3-6,8H2,1-2H3,(H,11,12)

InChIKey

SYQCXVKMCHQJPQ-UHFFFAOYSA-N

Compound name

3-methylnon-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 170.13068 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]+	171.13796	141.6
[M+Na]+	193.11990	150.3
[M+NH4]+	188.16450	148.1
[M+K]+	209.09384	145.2
[M-H]-	169.12340	139.7
[M+Na-2H]-	191.10535	143.2
[M]+	170.13013	141.9
[M]-	170.13123	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe