CID 15413224

5-methyl-1h-pyrazole-3,4-diamine

Structural Information

Molecular Formula
C4H8N4
SMILES
CC1=C(C(=NN1)N)N
InChI
InChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8)
InChIKey
CERNMDUMVTYODE-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

112.0749 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.082176 120.5
[M+Na]+ 135.064118 129.8
[M-H]- 111.067624 120.2
[M+NH4]+ 130.108723 141.1
[M+K]+ 151.038058 127.4
[M+H-H2O]+ 95.072160 114.0
[M+HCOO]- 157.073101 144.1
[M+CH3COO]- 171.088751 169.9
[M+Na-2H]- 133.049566 125.7
[M]+ 112.07435142 115.7
[M]- 112.07544858 115.7
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