CID 7141573

1046461-80-6

Structural Information

Molecular Formula
C12H15N3
SMILES
CC(C)C1=CC=C(C=C1)C2=CC(=NN2)N
InChI
InChI=1S/C12H15N3/c1-8(2)9-3-5-10(6-4-9)11-7-12(13)15-14-11/h3-8H,1-2H3,(H3,13,14,15)
InChIKey
KGXUXWIBKBBFHN-UHFFFAOYSA-N
Compound name
5-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 145.9
[M+Na]+ 224.115818 153.7
[M-H]- 200.119324 148.7
[M+NH4]+ 219.160423 163.1
[M+K]+ 240.089758 149.3
[M+H-H2O]+ 184.123860 138.0
[M+HCOO]- 246.124801 167.1
[M+CH3COO]- 260.140451 186.0
[M+Na-2H]- 222.101266 148.9
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.