CID 10154007

1h-pyrazole-3,4-diamine

Structural Information

Molecular Formula
C3H6N4
SMILES
C1=NNC(=C1N)N
InChI
InChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1H,4H2,(H3,5,6,7)
InChIKey
LHGQFZQWSOXLEW-UHFFFAOYSA-N
Compound name
1H-pyrazole-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6878
Patents

98.05925 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.066526 115.5
[M+Na]+ 121.04847 124.2
[M-H]- 97.051974 114.9
[M+NH4]+ 116.09307 136.2
[M+K]+ 137.02241 122.1
[M+H-H2O]+ 81.056510 108.8
[M+HCOO]- 143.05745 139.4
[M+CH3COO]- 157.07310 165.6
[M+Na-2H]- 119.03392 122.0
[M]+ 98.058701 109.9
[M]- 98.059799 109.9
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