CID 19702

Ethylenenitrosourea

Structural Information

Molecular Formula

C₃H₅N₃O₂

SMILES

C1CN(C(=O)N1)N=O

InChI

InChI=1S/C3H5N3O2/c7-3-4-1-2-6(3)5-8/h1-2H2,(H,4,7)

InChIKey

GDKLCVAXQJFVJV-UHFFFAOYSA-N

Compound name

1-nitrosoimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 115.03818 Da
Monoisotopic Mass: -1.0
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]+	116.04546	120.6
[M+Na]+	138.02740	129.6
[M+NH4]+	133.07200	127.4
[M+K]+	154.00134	127.5
[M-H]-	114.03090	119.8
[M+Na-2H]-	136.01285	124.5
[M]+	115.03763	121.1
[M]-	115.03873	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe