CID 11389596

5664-55-1

Structural Information

Molecular Formula
C5H7NOS
SMILES
C1=C(SC=N1)CCO
InChI
InChI=1S/C5H7NOS/c7-2-1-5-3-6-4-8-5/h3-4,7H,1-2H2
InChIKey
MWSQHVUUIHWHBM-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

129.02484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 122.9
[M+Na]+ 152.014058 132.1
[M-H]- 128.017564 124.5
[M+NH4]+ 147.058663 145.5
[M+K]+ 167.987998 130.2
[M+H-H2O]+ 112.022100 117.6
[M+HCOO]- 174.023041 141.8
[M+CH3COO]- 188.038691 165.3
[M+Na-2H]- 149.999506 126.7
[M]+ 129.02429142 124.5
[M]- 129.02538858 124.5
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