CID 23898

N-methyl-n-nitrosoacetamide

Structural Information

Molecular Formula

C₃H₆N₂O₂

SMILES

CC(=O)N(C)N=O

InChI

InChI=1S/C3H6N2O2/c1-3(6)5(2)4-7/h1-2H3

InChIKey

FFLFWNRFMZRFKU-UHFFFAOYSA-N

Compound name

N-methyl-N-nitrosoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 40
Patents: 102.04293 Da
Monoisotopic Mass: 0.0
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]+	103.05021	115.7
[M+Na]+	125.03215	123.4
[M-H]-	101.03565	119.5
[M+NH4]+	120.07675	139.6
[M+K]+	141.00609	126.4
[M+H-H2O]+	85.040190	110.5
[M+HCOO]-	147.04113	144.4
[M+CH3COO]-	161.05678	176.2
[M+Na-2H]-	123.01760	123.4
[M]+	102.04238	118.2
[M]-	102.04348	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe