CID 19471

N,n-ethylene-n'-isopropylurea

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(C)NC(=O)N1CC1

InChI

InChI=1S/C6H12N2O/c1-5(2)7-6(9)8-3-4-8/h5H,3-4H2,1-2H3,(H,7,9)

InChIKey

ZSBNMEOIEVHFJT-UHFFFAOYSA-N

Compound name

N-propan-2-ylaziridine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 128.09496 Da
Monoisotopic Mass: 0.1
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]+	129.102236	130.3
[M+Na]+	151.084178	138.7
[M-H]-	127.087684	133.8
[M+NH4]+	146.128783	146.1
[M+K]+	167.058118	137.3
[M+H-H2O]+	111.092220	123.8
[M+HCOO]-	173.093161	152.9
[M+CH3COO]-	187.108811	178.0
[M+Na-2H]-	149.069626	135.6
[M]+	128.09441142	131.8
[M]-	128.09550858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe