CID 45923684

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CC1=C(NN=C1N)N
InChI
InChI=1S/C4H8N4/c1-2-3(5)7-8-4(2)6/h1H3,(H5,5,6,7,8)
InChIKey
IWUFDXGFTOWUNK-UHFFFAOYSA-N
Compound name
4-methyl-1H-pyrazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

112.0749 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.5
[M+Na]+ 135.06412 129.8
[M-H]- 111.06762 120.2
[M+NH4]+ 130.10872 141.1
[M+K]+ 151.03806 127.4
[M+H-H2O]+ 95.072160 114.0
[M+HCOO]- 157.07310 144.1
[M+CH3COO]- 171.08875 169.9
[M+Na-2H]- 133.04957 125.7
[M]+ 112.07435 115.7
[M]- 112.07545 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