CID 643190

N-tert-butylmaleimide

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC(C)(C)N1C(=O)C=CC1=O

InChI

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

InChIKey

YEKDUBMGZZTUDY-UHFFFAOYSA-N

Compound name

1-tert-butylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3013
Patents: 153.07898 Da
Monoisotopic Mass: 0.5
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	130.3
[M+Na]+	176.068198	140.0
[M-H]-	152.071704	133.3
[M+NH4]+	171.112803	152.5
[M+K]+	192.042138	139.0
[M+H-H2O]+	136.076240	125.6
[M+HCOO]-	198.077181	152.5
[M+CH3COO]-	212.092831	175.5
[M+Na-2H]-	174.053646	135.3
[M]+	153.07843142	131.4
[M]-	153.07952858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe