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

20
Patents

157.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 131.3
[M+Na]+ 180.045358 141.0
[M-H]- 156.048864 133.3
[M+NH4]+ 175.089963 153.3
[M+K]+ 196.019298 139.0
[M+H-H2O]+ 140.053400 126.3
[M+HCOO]- 202.054341 148.4
[M+CH3COO]- 216.069991 174.4
[M+Na-2H]- 178.030806 131.7
[M]+ 157.05559142 133.7
[M]- 157.05668858 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