CID 58820336

2258-19-7

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC1=C(SC(=N1)C)CCO
InChI
InChI=1S/C7H11NOS/c1-5-7(3-4-9)10-6(2)8-5/h9H,3-4H2,1-2H3
InChIKey
BQQBMZMSRDSGKP-UHFFFAOYSA-N
Compound name
2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

157.05614 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 130.9
[M+Na]+ 180.04536 141.0
[M-H]- 156.04886 132.9
[M+NH4]+ 175.08996 153.0
[M+K]+ 196.01930 138.5
[M+H-H2O]+ 140.05340 125.8
[M+HCOO]- 202.05434 149.1
[M+CH3COO]- 216.06999 173.5
[M+Na-2H]- 178.03081 132.4
[M]+ 157.05559 134.0
[M]- 157.05669 134.0
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