CID 42016

56856-83-8

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

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

InChI

InChI=1S/C4H8N2O3/c1-4(7)9-3-6(2)5-8/h3H2,1-2H3

InChIKey

WBXQXRXMGCOVHA-UHFFFAOYSA-N

Compound name

[methyl(nitroso)amino]methyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 87
References: 253
Patents: 132.0535 Da
Monoisotopic Mass: 0.2
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]+	133.06078	125.0
[M+Na]+	155.04272	133.4
[M+NH4]+	150.08732	131.8
[M+K]+	171.01666	130.2
[M-H]-	131.04622	124.6
[M+Na-2H]-	153.02817	128.8
[M]+	132.05295	125.6
[M]-	132.05405	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe