CID 15166013

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CN1C=C(C(=N1)N)N
InChI
InChI=1S/C4H8N4/c1-8-2-3(5)4(6)7-8/h2H,5H2,1H3,(H2,6,7)
InChIKey
LOQVLQHJQFWANA-UHFFFAOYSA-N
Compound name
1-methylpyrazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

112.0749 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.082176 119.8
[M+Na]+ 135.064118 129.5
[M-H]- 111.067624 120.9
[M+NH4]+ 130.108723 141.1
[M+K]+ 151.038058 128.0
[M+H-H2O]+ 95.072160 113.1
[M+HCOO]- 157.073101 145.0
[M+CH3COO]- 171.088751 172.3
[M+Na-2H]- 133.049566 125.5
[M]+ 112.07435142 116.9
[M]- 112.07544858 116.9
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