CID 780877

60706-60-7

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC(=CC=C1C2=CC(=NN2)N)N
InChI
InChI=1S/C9H10N4/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,10H2,(H3,11,12,13)
InChIKey
YWRDVUFISVOFHY-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

174.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 135.1
[M+Na]+ 197.07977 143.7
[M-H]- 173.08327 137.8
[M+NH4]+ 192.12437 152.9
[M+K]+ 213.05371 139.1
[M+H-H2O]+ 157.08781 127.3
[M+HCOO]- 219.08875 158.8
[M+CH3COO]- 233.10440 147.8
[M+Na-2H]- 195.06522 140.5
[M]+ 174.09000 129.9
[M]- 174.09110 129.9
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