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

3
Annotation Hits: 0
References: 110
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	119.5
[M+Na]+	141.03829	127.2
[M+NH4]+	136.08289	126.4
[M+K]+	157.01223	127.4
[M-H]-	117.04179	121.0
[M+Na-2H]-	139.02374	122.7
[M]+	118.04852	120.3
[M]-	118.04962	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe