CID 581759

2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol

Structural Information

Molecular Formula
C6H8ClNOS
SMILES
CC1=C(SC=N1)C(CCl)O
InChI
InChI=1S/C6H8ClNOS/c1-4-6(5(9)2-7)10-3-8-4/h3,5,9H,2H2,1H3
InChIKey
OOKATFCTRGAPQX-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

177.00151 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.00879 133.3
[M+Na]+ 199.99073 143.1
[M-H]- 175.99423 135.0
[M+NH4]+ 195.03533 155.0
[M+K]+ 215.96467 139.5
[M+H-H2O]+ 159.99877 128.8
[M+HCOO]- 221.99971 146.1
[M+CH3COO]- 236.01536 174.1
[M+Na-2H]- 197.97618 134.3
[M]+ 177.00096 136.6
[M]- 177.00206 136.6
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.