CID 47073

N-(2-chloroethyl)-n-nitrosoacetamide

Structural Information

Molecular Formula

C₄H₇ClN₂O₂

SMILES

CC(=O)N(CCCl)N=O

InChI

InChI=1S/C4H7ClN2O2/c1-4(8)7(6-9)3-2-5/h2-3H2,1H3

InChIKey

HPVMVBSBKXPUMG-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-nitrosoacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 5
Patents: 150.0196 Da
Monoisotopic Mass: 0.6
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]+	151.02688	126.7
[M+Na]+	173.00882	136.5
[M+NH4]+	168.05342	134.4
[M+K]+	188.98276	131.9
[M-H]-	149.01232	127.0
[M+Na-2H]-	170.99427	131.2
[M]+	150.01905	128.1
[M]-	150.02015	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe