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]+ 203.11789 145.8
[M+Na]+ 225.09983 153.8
[M-H]- 201.10333 147.6
[M+NH4]+ 220.14443 162.7
[M+K]+ 241.07377 149.5
[M+H-H2O]+ 185.10787 138.7
[M+HCOO]- 247.10881 164.7
[M+CH3COO]- 261.12446 179.6
[M+Na-2H]- 223.08528 151.5
[M]+ 202.11006 143.6
[M]- 202.11116 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.