CID 54594041

(1r)-1-(1,3-thiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H7NOS
SMILES
C[C@H](C1=CN=CS1)O
InChI
InChI=1S/C5H7NOS/c1-4(7)5-2-6-3-8-5/h2-4,7H,1H3/t4-/m1/s1
InChIKey
KGTHTAOYPYNCFX-SCSAIBSYSA-N
Compound name
(1R)-1-(1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.