CID 20237

1-methyl-3-nitroguanidine

Structural Information

Molecular Formula

C₂H₆N₄O₂

SMILES

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

InChI

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

InChIKey

XCXKNNGWSDYMMS-UHFFFAOYSA-N

Compound name

2-methyl-1-nitroguanidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 326
Patents: 118.04907 Da
Monoisotopic Mass: -0.7
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	116.9
[M+Na]+	141.03829	122.9
[M-H]-	117.04179	118.6
[M+NH4]+	136.08289	137.9
[M+K]+	157.01223	120.1
[M+H-H2O]+	101.04633	115.9
[M+HCOO]-	163.04727	146.3
[M+CH3COO]-	177.06292	170.8
[M+Na-2H]-	139.02374	125.8
[M]+	118.04852	112.4
[M]-	118.04962	112.4

Literature stripe

literature stripe

Patent stripe

patents stripe