CID 22285679

881008-98-6

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=C(N=C(S1)C)CO
InChI
InChI=1S/C6H9NOS/c1-4-6(3-8)7-5(2)9-4/h8H,3H2,1-2H3
InChIKey
ZLBOUWDBGZPMTR-UHFFFAOYSA-N
Compound name
(2,5-dimethyl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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

No literature data available for this compound.

Patent stripe

patents stripe