CID 2759506

827614-44-8

Structural Information

Molecular Formula
C12H15N3
SMILES
CC(C)C1=NN(C(=C1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c1-9(2)11-8-12(13)15(14-11)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3
InChIKey
RZIRPJOVBWGTDI-UHFFFAOYSA-N
Compound name
2-phenyl-5-propan-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

201.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.4
[M+Na]+ 224.11582 153.7
[M-H]- 200.11932 149.6
[M+NH4]+ 219.16042 163.4
[M+K]+ 240.08976 150.2
[M+H-H2O]+ 184.12386 137.2
[M+HCOO]- 246.12480 168.1
[M+CH3COO]- 260.14045 188.6
[M+Na-2H]- 222.10127 148.9
[M]+ 201.12605 144.2
[M]- 201.12715 144.2
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

patents stripe