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

13
Patents

157.05614 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 130.9
[M+Na]+ 180.045358 141.0
[M-H]- 156.048864 132.9
[M+NH4]+ 175.089963 153.0
[M+K]+ 196.019298 138.5
[M+H-H2O]+ 140.053400 125.8
[M+HCOO]- 202.054341 149.1
[M+CH3COO]- 216.069991 173.5
[M+Na-2H]- 178.030806 132.4
[M]+ 157.05559142 134.0
[M]- 157.05668858 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