CID 165747240

4-[2-(1h-pyrazol-1-yl)propan-2-yl]phenol

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C)(C1=CC=C(C=C1)O)N2C=CC=N2
InChI
InChI=1S/C12H14N2O/c1-12(2,14-9-3-8-13-14)10-4-6-11(15)7-5-10/h3-9,15H,1-2H3
InChIKey
VCNZWQQUMQCIAM-UHFFFAOYSA-N
Compound name
4-(2-pyrazol-1-ylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 145.3
[M+Na]+ 225.09983 153.7
[M-H]- 201.10333 148.5
[M+NH4]+ 220.14443 162.9
[M+K]+ 241.07377 150.3
[M+H-H2O]+ 185.10787 137.9
[M+HCOO]- 247.10881 165.6
[M+CH3COO]- 261.12446 182.2
[M+Na-2H]- 223.08528 151.4
[M]+ 202.11006 145.0
[M]- 202.11116 145.0
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.