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

162
Patents

118.04907 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05635 119.1
[M+Na]+ 141.03829 127.2
[M+NH4]+ 136.08289 126.2
[M+K]+ 157.01223 126.6
[M-H]- 117.04179 120.8
[M+Na-2H]- 139.02374 122.7
[M]+ 118.04852 120.1
[M]- 118.04962 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe