CID 12992807

16077-78-4

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

181
Patents

143.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 128.9
[M+Na]+ 166.029698 138.0
[M-H]- 142.033204 130.6
[M+NH4]+ 161.074303 151.0
[M+K]+ 182.003638 136.2
[M+H-H2O]+ 126.037740 124.0
[M+HCOO]- 188.038681 145.9
[M+CH3COO]- 202.054331 168.6
[M+Na-2H]- 164.015146 132.8
[M]+ 143.03993142 130.3
[M]- 143.04102858 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