CID 10290764

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6520
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

literature stripe

Patent stripe

patents stripe