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

159
Patents

112.0749 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 119.8
[M+Na]+ 135.06412 129.5
[M-H]- 111.06762 120.9
[M+NH4]+ 130.10872 141.1
[M+K]+ 151.03806 128.0
[M+H-H2O]+ 95.072160 113.1
[M+HCOO]- 157.07310 145.0
[M+CH3COO]- 171.08875 172.3
[M+Na-2H]- 133.04957 125.5
[M]+ 112.07435 116.9
[M]- 112.07545 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