CID 74203

N-cyclohexylmaleimide

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1CCC(CC1)N2C(=O)C=CC2=O

InChI

InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2

InChIKey

BQTPKSBXMONSJI-UHFFFAOYSA-N

Compound name

1-cyclohexylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 38724
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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]+	180.101916	138.2
[M+Na]+	202.083858	144.7
[M-H]-	178.087364	143.1
[M+NH4]+	197.128463	158.4
[M+K]+	218.057798	142.6
[M+H-H2O]+	162.091900	131.4
[M+HCOO]-	224.092841	158.4
[M+CH3COO]-	238.108491	178.6
[M+Na-2H]-	200.069306	140.5
[M]+	179.09409142	133.6
[M]-	179.09518858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe