CID 3057197

Alpha-(p-methylthiophenyl)-1-imidazoleethanol

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CSC1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C12H14N2OS/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14/h2-7,9,12,15H,8H2,1H3
InChIKey
UXPKQVHJINQFMF-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-methylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.08269 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 151.2
[M+Na]+ 257.07191 159.6
[M-H]- 233.07541 154.5
[M+NH4]+ 252.11651 168.2
[M+K]+ 273.04585 155.5
[M+H-H2O]+ 217.07995 143.8
[M+HCOO]- 279.08089 167.3
[M+CH3COO]- 293.09654 186.4
[M+Na-2H]- 255.05736 152.3
[M]+ 234.08214 153.2
[M]- 234.08324 153.2
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