CID 6481683

2-(1h-imidazol-2-yl)-1-(p-tolyl)ethanol

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=CC=C(C=C1)C(CC2=NC=CN2)O
InChI
InChI=1S/C12H14N2O/c1-9-2-4-10(5-3-9)11(15)8-12-13-6-7-14-12/h2-7,11,15H,8H2,1H3,(H,13,14)
InChIKey
MVIRMENJSYAPPR-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 145.3
[M+Na]+ 225.09983 152.5
[M-H]- 201.10333 146.8
[M+NH4]+ 220.14443 162.0
[M+K]+ 241.07377 148.2
[M+H-H2O]+ 185.10787 137.6
[M+HCOO]- 247.10881 164.8
[M+CH3COO]- 261.12446 180.1
[M+Na-2H]- 223.08528 149.0
[M]+ 202.11006 143.0
[M]- 202.11116 143.0
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.