CID 2760274

676348-57-5

Structural Information

Molecular Formula
C10H10O4S
SMILES
CC(=O)C(C(=O)C1=CC=CS1)C(=O)OC
InChI
InChI=1S/C10H10O4S/c1-6(11)8(10(13)14-2)9(12)7-4-3-5-15-7/h3-5,8H,1-2H3
InChIKey
ZSKFIXMFIWJQKD-UHFFFAOYSA-N
Compound name
methyl 3-oxo-2-(thiophene-2-carbonyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03726 150.2
[M+Na]+ 249.01920 158.0
[M+NH4]+ 244.06380 156.5
[M+K]+ 264.99314 155.0
[M-H]- 225.02270 149.1
[M+Na-2H]- 247.00465 152.3
[M]+ 226.02943 151.0
[M]- 226.03053 151.0
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.