CID 13045210

5-n-methyl-1h-1,2,4-triazole-3,5-diamine

Structural Information

Molecular Formula
C3H7N5
SMILES
CNC1=NNC(=N1)N
InChI
InChI=1S/C3H7N5/c1-5-3-6-2(4)7-8-3/h1H3,(H4,4,5,6,7,8)
InChIKey
IDPVERHXDUGTRN-UHFFFAOYSA-N
Compound name
3-N-methyl-1H-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

113.070145 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.077421 119.9
[M+Na]+ 136.059363 128.6
[M-H]- 112.062869 118.4
[M+NH4]+ 131.103968 138.9
[M+K]+ 152.033303 126.7
[M+H-H2O]+ 96.067405 112.2
[M+HCOO]- 158.068346 143.1
[M+CH3COO]- 172.083996 169.2
[M+Na-2H]- 134.044811 127.4
[M]+ 113.06959642 115.8
[M]- 113.07069358 115.8
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

patents stripe