CID 19876739

121357-04-8

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=NC(=CS1)CCO
InChI
InChI=1S/C6H9NOS/c1-5-7-6(2-3-8)4-9-5/h4,8H,2-3H2,1H3
InChIKey
REKVZAFNJAMAQL-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-thiazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

143.04048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 127.0
[M+Na]+ 166.029698 136.6
[M-H]- 142.033204 128.7
[M+NH4]+ 161.074303 149.3
[M+K]+ 182.003638 134.4
[M+H-H2O]+ 126.037740 121.8
[M+HCOO]- 188.038681 145.5
[M+CH3COO]- 202.054331 169.4
[M+Na-2H]- 164.015146 129.6
[M]+ 143.03993142 129.3
[M]- 143.04102858 129.3
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

patents stripe