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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.