CID 112713225

1554586-90-1

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=NN2
InChI
InChI=1S/C12H14N2O/c1-12(2,11-7-8-13-14-11)9-3-5-10(15)6-4-9/h3-8,15H,1-2H3,(H,13,14)
InChIKey
ZZLRORWBHHLUQH-UHFFFAOYSA-N
Compound name
4-[2-(1H-pyrazol-5-yl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.8
[M+Na]+ 225.099828 153.8
[M-H]- 201.103334 147.6
[M+NH4]+ 220.144433 162.7
[M+K]+ 241.073768 149.5
[M+H-H2O]+ 185.107870 138.7
[M+HCOO]- 247.108811 164.7
[M+CH3COO]- 261.124461 179.6
[M+Na-2H]- 223.085276 151.5
[M]+ 202.11006142 143.6
[M]- 202.11115858 143.6
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.