CID 132365140

2155854-96-7

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CC(C)(C)OCC1=NC=C(S1)C(=O)O
InChI
InChI=1S/C9H13NO3S/c1-9(2,3)13-5-7-10-4-6(14-7)8(11)12/h4H,5H2,1-3H3,(H,11,12)
InChIKey
DLVBQZIBUYFSNB-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.068886 147.8
[M+Na]+ 238.050828 156.1
[M-H]- 214.054334 149.4
[M+NH4]+ 233.095433 167.1
[M+K]+ 254.024768 154.4
[M+H-H2O]+ 198.058870 142.5
[M+HCOO]- 260.059811 163.4
[M+CH3COO]- 274.075461 182.0
[M+Na-2H]- 236.036276 148.9
[M]+ 215.06106142 152.1
[M]- 215.06215858 152.1
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

No patent data available for this compound.