CID 23553308

179018-46-3

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CC2=CSC=N2)O

InChI

InChI=1S/C10H9NOS/c12-10-3-1-8(2-4-10)5-9-6-13-7-11-9/h1-4,6-7,12H,5H2

InChIKey

QYDNEOCEEZTPGB-UHFFFAOYSA-N

Compound name

4-(1,3-thiazol-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.04048 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.04776	138.9
[M+Na]+	214.02970	152.3
[M+NH4]+	209.07430	148.5
[M+K]+	230.00364	144.9
[M-H]-	190.03320	142.7
[M+Na-2H]-	212.01515	147.1
[M]+	191.03993	142.4
[M]-	191.04103	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe