CID 22220867

7531-72-8

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC1=C(SC(=N1)C(C)O)C
InChI
InChI=1S/C7H11NOS/c1-4-6(3)10-7(8-4)5(2)9/h5,9H,1-3H3
InChIKey
GEEFPWNWTUMMKP-UHFFFAOYSA-N
Compound name
1-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

157.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 131.3
[M+Na]+ 180.04536 141.0
[M-H]- 156.04886 133.3
[M+NH4]+ 175.08996 153.3
[M+K]+ 196.01930 139.0
[M+H-H2O]+ 140.05340 126.3
[M+HCOO]- 202.05434 148.4
[M+CH3COO]- 216.06999 174.4
[M+Na-2H]- 178.03081 131.7
[M]+ 157.05559 133.7
[M]- 157.05669 133.7
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