CID 206611

Methylamine, n-chloro-n-nitro-

Structural Information

Molecular Formula

CH₃ClN₂O₂

SMILES

CN([N+](=O)[O-])Cl

InChI

InChI=1S/CH3ClN2O2/c1-3(2)4(5)6/h1H3

InChIKey

OIAKCZCVYHBOAB-UHFFFAOYSA-N

Compound name

N-chloro-N-methylnitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 109.988304 Da
Monoisotopic Mass: 1.3
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]+	110.99558	114.5
[M+Na]+	132.97752	122.7
[M-H]-	108.98103	116.6
[M+NH4]+	128.02213	137.6
[M+K]+	148.95146	119.4
[M+H-H2O]+	92.985564	115.9
[M+HCOO]-	154.98650	138.1
[M+CH3COO]-	169.00216	165.4
[M+Na-2H]-	130.96297	123.6
[M]+	109.98776	115.1
[M]-	109.98885	115.1

Literature stripe

literature stripe

Patent stripe

patents stripe