CID 6436390

13533-08-9

Structural Information

Molecular Formula

C₂₂H₄₀O₂

SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h11-12H,2,4-10,13-20H2,1,3H3/b12-11-

InChIKey

BXOBFMUWVVHLFK-QXMHVHEDSA-N

Compound name

[(Z)-octadec-9-enyl] 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1790
Patents: 336.30283 Da
Monoisotopic Mass: 9.5
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]+	337.310106	194.4
[M+Na]+	359.292048	195.7
[M-H]-	335.295554	192.0
[M+NH4]+	354.336653	208.3
[M+K]+	375.265988	191.3
[M+H-H2O]+	319.300090	187.3
[M+HCOO]-	381.301031	212.1
[M+CH3COO]-	395.316681	216.8
[M+Na-2H]-	357.277496	190.6
[M]+	336.30228142	201.2
[M]-	336.30337858	201.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe