CID 13106536

(2-chloro-4-methylthiazol-5-yl)methanol

Structural Information

Molecular Formula
C5H6ClNOS
SMILES
CC1=C(SC(=N1)Cl)CO
InChI
InChI=1S/C5H6ClNOS/c1-3-4(2-8)9-5(6)7-3/h8H,2H2,1H3
InChIKey
GXRVZGYSUWUAAK-UHFFFAOYSA-N
Compound name
(2-chloro-4-methyl-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.98586 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.99314 128.1
[M+Na]+ 185.97508 139.6
[M-H]- 161.97858 130.3
[M+NH4]+ 181.01968 150.8
[M+K]+ 201.94902 135.8
[M+H-H2O]+ 145.98312 124.1
[M+HCOO]- 207.98406 142.3
[M+CH3COO]- 221.99971 171.4
[M+Na-2H]- 183.96053 130.1
[M]+ 162.98531 132.0
[M]- 162.98641 132.0
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

No patent data available for this compound.