CID 9570246

N-methyl-n,n'-dinitroguanidine

Structural Information

Molecular Formula

C₂H₅N₅O₄

SMILES

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

InChI

InChI=1S/C2H5N5O4/c1-5(7(10)11)2(3)4-6(8)9/h1H3,(H2,3,4)

InChIKey

SRKQWNFPTBNUKE-UHFFFAOYSA-N

Compound name

1-methyl-1,2-dinitroguanidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 163.03415 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]+	164.04143	125.3
[M+Na]+	186.02337	130.1
[M-H]-	162.02687	128.0
[M+NH4]+	181.06797	189.2
[M+K]+	201.99731	124.7
[M+H-H2O]+	146.03141	127.9
[M+HCOO]-	208.03235	195.6
[M+CH3COO]-	222.04800	176.6
[M+Na-2H]-	184.00882	134.4
[M]+	163.03360	120.4
[M]-	163.03470	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe