CID 5780145

Hexadecenylsuccinic acid

Structural Information

Molecular Formula

C₂₀H₃₆O₄

SMILES

CCCCCCCCCCCCCC/C=C/C(CC(=O)O)C(=O)O

InChI

InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,23,24)/b16-15+

InChIKey

AAHZZGHPCKJNNZ-FOCLMDBBSA-N

Compound name

2-[(E)-hexadec-1-enyl]butanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2092
Patents: 340.26135 Da
Monoisotopic Mass: 7.2
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]+	341.268626	192.1
[M+Na]+	363.250568	192.7
[M-H]-	339.254074	187.1
[M+NH4]+	358.295173	203.9
[M+K]+	379.224508	188.7
[M+H-H2O]+	323.258610	185.3
[M+HCOO]-	385.259551	206.8
[M+CH3COO]-	399.275201	211.0
[M+Na-2H]-	361.236016	187.0
[M]+	340.26080142	196.4
[M]-	340.26189858	196.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe