CID 11142379

13481-97-5

Structural Information

Molecular Formula

C₂₀H₃₆O₄

SMILES

COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C20H36O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-4H,5-18H2,1-2H3/b4-3+

InChIKey

HGGLIXDRUINGBB-ONEGZZNKSA-N

Compound name

dimethyl (E)-octadec-9-enedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 498
Patents: 340.26135 Da
Monoisotopic Mass: 6.2
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]+	341.26863	189.4
[M+Na]+	363.25057	195.7
[M+NH4]+	358.29517	193.1
[M+K]+	379.22451	189.0
[M-H]-	339.25407	186.2
[M+Na-2H]-	361.23602	188.0
[M]+	340.26080	188.9
[M]-	340.26190	188.9

Literature stripe

literature stripe

Patent stripe

patents stripe