CID 54302326

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe