CID 65331292

4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CC1=C(SC(=N1)C2CCCO2)C(=O)O
InChI
InChI=1S/C9H11NO3S/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,11,12)
InChIKey
QMUSLNJQXVIBGC-UHFFFAOYSA-N
Compound name
4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 145.9
[M+Na]+ 236.03518 155.0
[M+NH4]+ 231.07978 153.5
[M+K]+ 252.00912 152.9
[M-H]- 212.03868 148.2
[M+Na-2H]- 234.02063 148.6
[M]+ 213.04541 148.0
[M]- 213.04651 148.0
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.