CID 150943

5-thiazoleethanol

Structural Information

Molecular Formula
C6H10N2OS
SMILES
CC1=C(SC(=N1)N)CCO
InChI
InChI=1S/C6H10N2OS/c1-4-5(2-3-9)10-6(7)8-4/h9H,2-3H2,1H3,(H2,7,8)
InChIKey
XGHVUVFECVBQLK-UHFFFAOYSA-N
Compound name
2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

158.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 130.7
[M+Na]+ 181.040608 140.2
[M-H]- 157.044114 132.1
[M+NH4]+ 176.085213 152.0
[M+K]+ 197.014548 137.3
[M+H-H2O]+ 141.048650 125.2
[M+HCOO]- 203.049591 149.4
[M+CH3COO]- 217.065241 174.7
[M+Na-2H]- 179.026056 132.2
[M]+ 158.05084142 131.5
[M]- 158.05193858 131.5
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