CID 46785227

2-thiazolemethanol, alpha,5-dimethyl-

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=CN=C(S1)C(C)O
InChI
InChI=1S/C6H9NOS/c1-4-3-7-6(9-4)5(2)8/h3,5,8H,1-2H3
InChIKey
RDESPEHLHHEDRS-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

143.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.7
[M+Na]+ 166.02970 139.4
[M+NH4]+ 161.07430 137.5
[M+K]+ 182.00364 134.3
[M-H]- 142.03320 129.5
[M+Na-2H]- 164.01515 133.1
[M]+ 143.03993 130.8
[M]- 143.04103 130.8
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