CID 4962566

854137-79-4

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 141.1
[M+Na]+ 224.03518 150.5
[M-H]- 200.03868 142.8
[M+NH4]+ 219.07978 160.9
[M+K]+ 240.00912 147.9
[M+H-H2O]+ 184.04322 135.6
[M+HCOO]- 246.04416 158.6
[M+CH3COO]- 260.05981 179.7
[M+Na-2H]- 222.02063 141.1
[M]+ 201.04541 145.3
[M]- 201.04651 145.3
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

No patent data available for this compound.