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]+ 214.053236 145.5
[M+Na]+ 236.035178 153.9
[M-H]- 212.038684 151.1
[M+NH4]+ 231.079783 165.2
[M+K]+ 252.009118 153.1
[M+H-H2O]+ 196.043220 140.6
[M+HCOO]- 258.044161 161.5
[M+CH3COO]- 272.059811 180.3
[M+Na-2H]- 234.020626 144.1
[M]+ 213.04541142 147.2
[M]- 213.04650858 147.2
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.