CID 736541

(4-methyl-2-phenyl-thiazol-5-yl)-methanol

Structural Information

Molecular Formula
C11H11NOS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H11NOS/c1-8-10(7-13)14-11(12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKey
JSIPFWSPCWZJIU-UHFFFAOYSA-N
Compound name
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

205.05614 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06342 142.3
[M+Na]+ 228.04536 152.4
[M-H]- 204.04886 147.5
[M+NH4]+ 223.08996 162.3
[M+K]+ 244.01930 148.1
[M+H-H2O]+ 188.05340 136.2
[M+HCOO]- 250.05434 161.1
[M+CH3COO]- 264.06999 156.0
[M+Na-2H]- 226.03081 144.4
[M]+ 205.05559 144.5
[M]- 205.05669 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe