CID 9989295

1-thiazol-2-yl-ethanol

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC(C1=NC=CS1)O
InChI
InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-4,7H,1H3
InChIKey
YTYLXXDUJXUJJJ-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

129.02484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 124.3
[M+Na]+ 152.01406 134.8
[M+NH4]+ 147.05866 133.3
[M+K]+ 167.98800 129.7
[M-H]- 128.01756 125.0
[M+Na-2H]- 149.99951 129.2
[M]+ 129.02429 126.3
[M]- 129.02539 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe