CID 9989295

40982-30-7

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

418
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 123.6
[M+Na]+ 152.01406 132.4
[M-H]- 128.01756 125.3
[M+NH4]+ 147.05866 146.1
[M+K]+ 167.98800 131.0
[M+H-H2O]+ 112.02210 118.3
[M+HCOO]- 174.02304 141.4
[M+CH3COO]- 188.03869 166.1
[M+Na-2H]- 149.99951 126.2
[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

literature stripe

Patent stripe

patents stripe