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]+ 172.079076 135.8
[M+Na]+ 194.061018 145.1
[M-H]- 170.064524 137.7
[M+NH4]+ 189.105623 157.3
[M+K]+ 210.034958 142.8
[M+H-H2O]+ 154.069060 130.6
[M+HCOO]- 216.070001 152.5
[M+CH3COO]- 230.085651 177.4
[M+Na-2H]- 192.046466 135.7
[M]+ 171.07125142 138.6
[M]- 171.07234858 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.