CID 86287517

Nitroguanidine

Structural Information

Molecular Formula
CH4N4O2
SMILES
C(=N)(N)N[N+](=O)[O-]
InChI
InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)
InChIKey
IDCPFAYURAQKDZ-UHFFFAOYSA-N
Compound name
1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

68
References

9527
Patents

104.033424 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04070 111.7
[M+Na]+ 127.02264 117.7
[M-H]- 103.02615 112.1
[M+NH4]+ 122.06725 132.5
[M+K]+ 142.99658 114.2
[M+H-H2O]+ 87.030684 111.0
[M+HCOO]- 149.03162 139.9
[M+CH3COO]- 163.04728 165.7
[M+Na-2H]- 125.00809 120.6
[M]+ 104.03288 105.1
[M]- 104.03397 105.1
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