CID 117168

13877-83-3

Structural Information

Molecular Formula

C₁₆H₂₈O₄

SMILES

CCCCCCCCCC=CCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)

InChIKey

VAHSVKWHLFZJMH-UHFFFAOYSA-N

Compound name

2-dodec-2-enylbutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2076
Patents: 284.19876 Da
Monoisotopic Mass: 4.8
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]+	285.20604	174.2
[M+Na]+	307.18798	176.5
[M-H]-	283.19148	170.0
[M+NH4]+	302.23258	188.3
[M+K]+	323.16192	173.4
[M+H-H2O]+	267.19602	168.1
[M+HCOO]-	329.19696	190.2
[M+CH3COO]-	343.21261	199.2
[M+Na-2H]-	305.17343	171.2
[M]+	284.19821	177.0
[M]-	284.19931	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe