CID 3015187

1-(4-aminophenyl)-4,5-dihydro-1h-pyrazol-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H12N4
SMILES
C1CN(N=C1N)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H12N4/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6,10H2,(H2,11,12)
InChIKey
WFTSBMRVTWFBIF-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

176.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 136.4
[M+Na]+ 199.095418 144.3
[M-H]- 175.098924 140.0
[M+NH4]+ 194.140023 154.7
[M+K]+ 215.069358 140.9
[M+H-H2O]+ 159.103460 128.2
[M+HCOO]- 221.104401 160.1
[M+CH3COO]- 235.120051 149.2
[M+Na-2H]- 197.080866 141.1
[M]+ 176.10565142 131.6
[M]- 176.10674858 131.6
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