CID 12099230

7-hexadecenedioic acid, (7z)-

Structural Information

Molecular Formula

C₁₆H₂₈O₄

SMILES

C(CCC/C=C\CCCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C16H28O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1,3H,2,4-14H2,(H,17,18)(H,19,20)/b3-1-

InChIKey

NJNZHDLLCUGGBQ-IWQZZHSRSA-N

Compound name

(Z)-hexadec-7-enedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 284.19876 Da
Monoisotopic Mass: 4.4
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]+	285.206036	173.7
[M+Na]+	307.187978	176.3
[M-H]-	283.191484	169.4
[M+NH4]+	302.232583	187.9
[M+K]+	323.161918	172.7
[M+H-H2O]+	267.196020	167.6
[M+HCOO]-	329.196961	190.8
[M+CH3COO]-	343.212611	198.3
[M+Na-2H]-	305.173426	172.0
[M]+	284.19821142	177.3
[M]-	284.19930858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe