CID 22731481

N-methyl-n-nitroguanidine

Structural Information

Molecular Formula

C₂H₆N₄O₂

SMILES

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

InChI

InChI=1S/C2H6N4O2/c1-5(2(3)4)6(7)8/h1H3,(H3,3,4)

InChIKey

BJRRHBMKDXBQBE-UHFFFAOYSA-N

Compound name

1-methyl-1-nitroguanidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 157
Patents: 118.04907 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]+	119.05635	117.1
[M+Na]+	141.03829	122.9
[M-H]-	117.04179	118.8
[M+NH4]+	136.08289	138.0
[M+K]+	157.01223	120.6
[M+H-H2O]+	101.04633	116.2
[M+HCOO]-	163.04727	145.5
[M+CH3COO]-	177.06292	172.2
[M+Na-2H]-	139.02374	124.7
[M]+	118.04852	112.0
[M]-	118.04962	112.0

Literature stripe

literature stripe

Patent stripe

patents stripe