CID 4962566

4-(4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-3-yl)butanoic acid

Structural Information

Molecular Formula
C8H11NO3S
SMILES
CC1=CSC(=O)N1CCCC(=O)O
InChI
InChI=1S/C8H11NO3S/c1-6-5-13-8(12)9(6)4-2-3-7(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKey
DYRYBHFPOZKIQX-UHFFFAOYSA-N
Compound name
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.04596 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05324 144.0
[M+Na]+ 224.03518 153.7
[M+NH4]+ 219.07978 150.7
[M+K]+ 240.00912 149.1
[M-H]- 200.03868 143.1
[M+Na-2H]- 222.02063 146.4
[M]+ 201.04541 145.2
[M]- 201.04651 145.2
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.