CID 54594886

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H13NOS
SMILES
CCC1=NC(=C(S1)C(C)O)C
InChI
InChI=1S/C8H13NOS/c1-4-7-9-5(2)8(11-7)6(3)10/h6,10H,4H2,1-3H3
InChIKey
WCQXPDSIATYONZ-UHFFFAOYSA-N
Compound name
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07908 135.8
[M+Na]+ 194.06102 145.1
[M-H]- 170.06452 137.7
[M+NH4]+ 189.10562 157.3
[M+K]+ 210.03496 142.8
[M+H-H2O]+ 154.06906 130.6
[M+HCOO]- 216.07000 152.5
[M+CH3COO]- 230.08565 177.4
[M+Na-2H]- 192.04647 135.7
[M]+ 171.07125 138.6
[M]- 171.07235 138.6
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.