CID 512824

N-nonyl citraconimide

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CCCCCCCCCN1C(=O)C=C(C1=O)C

InChI

InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3

InChIKey

VFSPFAZQYIAAAH-UHFFFAOYSA-N

Compound name

3-methyl-1-nonylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 237.17288 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]+	238.18016	157.2
[M+Na]+	260.16210	164.6
[M-H]-	236.16560	159.0
[M+NH4]+	255.20670	176.0
[M+K]+	276.13604	161.6
[M+H-H2O]+	220.17014	150.7
[M+HCOO]-	282.17108	178.9
[M+CH3COO]-	296.18673	195.2
[M+Na-2H]-	258.14755	157.4
[M]+	237.17233	161.3
[M]-	237.17343	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe