CID 20402108

(4,5-dimethylthiazol-2-yl)methanol

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=C(SC(=N1)CO)C
InChI
InChI=1S/C6H9NOS/c1-4-5(2)9-6(3-8)7-4/h8H,3H2,1-2H3
InChIKey
NNZZUYMCPDVPQA-UHFFFAOYSA-N
Compound name
(4,5-dimethyl-1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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 128.6
[M+Na]+ 166.02970 140.0
[M+NH4]+ 161.07430 137.5
[M+K]+ 182.00364 134.2
[M-H]- 142.03320 129.6
[M+Na-2H]- 164.01515 133.1
[M]+ 143.03993 130.9
[M]- 143.04103 130.9
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