CID 12992807

2-thiazol-2-yl-propan-2-ol

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC(C)(C1=NC=CS1)O
InChI
InChI=1S/C6H9NOS/c1-6(2,8)5-7-3-4-9-5/h3-4,8H,1-2H3
InChIKey
MWGMIUFKOSHPDB-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

143.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.9
[M+Na]+ 166.02970 138.0
[M-H]- 142.03320 130.6
[M+NH4]+ 161.07430 151.0
[M+K]+ 182.00364 136.2
[M+H-H2O]+ 126.03774 124.0
[M+HCOO]- 188.03868 145.9
[M+CH3COO]- 202.05433 168.6
[M+Na-2H]- 164.01515 132.8
[M]+ 143.03993 130.3
[M]- 143.04103 130.3
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