CID 239780

N-butylmaleimide

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCCCN1C(=O)C=CC1=O

InChI

InChI=1S/C8H11NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h4-5H,2-3,6H2,1H3

InChIKey

JNPCNDJVEUEFBO-UHFFFAOYSA-N

Compound name

1-butylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 11748
Patents: 153.07898 Da
Monoisotopic Mass: 1.6
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]+	154.086256	130.2
[M+Na]+	176.068198	139.4
[M-H]-	152.071704	132.8
[M+NH4]+	171.112803	152.2
[M+K]+	192.042138	137.9
[M+H-H2O]+	136.076240	124.6
[M+HCOO]-	198.077181	153.9
[M+CH3COO]-	212.092831	175.9
[M+Na-2H]-	174.053646	134.4
[M]+	153.07843142	131.8
[M]-	153.07952858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe