CID 20402108

(dimethyl-1,3-thiazol-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 126.4
[M+Na]+ 166.02970 136.9
[M-H]- 142.03320 128.6
[M+NH4]+ 161.07430 149.1
[M+K]+ 182.00364 134.7
[M+H-H2O]+ 126.03774 121.5
[M+HCOO]- 188.03868 144.9
[M+CH3COO]- 202.05433 170.5
[M+Na-2H]- 164.01515 128.4
[M]+ 143.03993 129.1
[M]- 143.04103 129.1
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

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