CID 6365755

Dec-1-enylsuccinic acid

Structural Information

Molecular Formula

C₁₄H₂₄O₄

SMILES

CCCCCCCC/C=C/C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)/b10-9+

InChIKey

HLOQHECIPXZHSX-MDZDMXLPSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 322
Patents: 256.16745 Da
Monoisotopic Mass: 4.0
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]+	257.17473	164.4
[M+Na]+	279.15667	170.4
[M+NH4]+	274.20127	168.2
[M+K]+	295.13061	166.5
[M-H]-	255.16017	160.0
[M+Na-2H]-	277.14212	162.9
[M]+	256.16690	163.3
[M]-	256.16800	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe