CID 9566042

4364-78-7

Structural Information

Molecular Formula
CH7N5
SMILES
C(=N\N)(\N)/NN
InChI
InChI=1S/CH7N5/c2-1(5-3)6-4/h3-4H2,(H3,2,5,6)
InChIKey
JGGFDEJXWLAQKR-UHFFFAOYSA-N
Compound name
1,2-diaminoguanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

2085
Patents

89.070145 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.077421 113.0
[M+Na]+ 112.059363 118.7
[M-H]- 88.062869 113.9
[M+NH4]+ 107.103968 134.7
[M+K]+ 128.033303 119.4
[M+H-H2O]+ 72.067405 106.8
[M+HCOO]- 134.068346 142.0
[M+CH3COO]- 148.083996 176.5
[M+Na-2H]- 110.044811 119.7
[M]+ 89.06959642 105.7
[M]- 89.07069358 105.7
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