CID 16495207

(2-phenyl-1,3-thiazol-5-yl)methanol

Structural Information

Molecular Formula
C10H9NOS
SMILES
C1=CC=C(C=C1)C2=NC=C(S2)CO
InChI
InChI=1S/C10H9NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChIKey
RTGLBURQTRPWRA-UHFFFAOYSA-N
Compound name
(2-phenyl-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

191.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.047756 138.1
[M+Na]+ 214.029698 147.7
[M-H]- 190.033204 143.1
[M+NH4]+ 209.074303 158.3
[M+K]+ 230.003638 143.7
[M+H-H2O]+ 174.037740 131.9
[M+HCOO]- 236.038681 157.2
[M+CH3COO]- 250.054331 151.8
[M+Na-2H]- 212.015146 141.3
[M]+ 191.03993142 139.5
[M]- 191.04102858 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