CID 2384284

3-(4-propylphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C12H15N3
SMILES
CCCC1=CC=C(C=C1)C2=CC(=NN2)N
InChI
InChI=1S/C12H15N3/c1-2-3-9-4-6-10(7-5-9)11-8-12(13)15-14-11/h4-8H,2-3H2,1H3,(H3,13,14,15)
InChIKey
ZKXPZJHRBDVHIA-UHFFFAOYSA-N
Compound name
5-(4-propylphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 145.3
[M+Na]+ 224.115818 153.4
[M-H]- 200.119324 147.9
[M+NH4]+ 219.160423 162.6
[M+K]+ 240.089758 148.5
[M+H-H2O]+ 184.123860 137.2
[M+HCOO]- 246.124801 167.5
[M+CH3COO]- 260.140451 157.5
[M+Na-2H]- 222.101266 149.5
[M]+ 201.12605142 142.8
[M]- 201.12714858 142.8
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

No patent data available for this compound.