CID 23553308

179018-46-3

Structural Information

Molecular Formula
C10H9NOS
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

3
Patents

191.04048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04776 138.1
[M+Na]+ 214.02970 147.7
[M-H]- 190.03320 143.1
[M+NH4]+ 209.07430 158.3
[M+K]+ 230.00364 143.7
[M+H-H2O]+ 174.03774 131.9
[M+HCOO]- 236.03868 157.2
[M+CH3COO]- 250.05433 151.8
[M+Na-2H]- 212.01515 141.3
[M]+ 191.03993 139.5
[M]- 191.04103 139.5
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