CID 22647203

2-(1,3-thiazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H7NOS
SMILES
C1=C(N=CS1)CCO
InChI
InChI=1S/C5H7NOS/c7-2-1-5-3-8-4-6-5/h3-4,7H,1-2H2
InChIKey
ZOGHXTOEFVTKBW-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

129.02484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 122.9
[M+Na]+ 152.01406 132.1
[M-H]- 128.01756 124.5
[M+NH4]+ 147.05866 145.5
[M+K]+ 167.98800 130.2
[M+H-H2O]+ 112.02210 117.6
[M+HCOO]- 174.02304 141.8
[M+CH3COO]- 188.03869 165.3
[M+Na-2H]- 149.99951 126.7
[M]+ 129.02429 124.5
[M]- 129.02539 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

No literature data available for this compound.

Patent stripe

patents stripe