CID 39345739

1031927-95-3

Structural Information

Molecular Formula
C10H10O3S
SMILES
CCOC(=O)C(=O)/C=C/C1=CSC=C1
InChI
InChI=1S/C10H10O3S/c1-2-13-10(12)9(11)4-3-8-5-6-14-7-8/h3-7H,2H2,1H3/b4-3+
InChIKey
VOWDAMHVMSSCOK-ONEGZZNKSA-N
Compound name
ethyl (E)-2-oxo-4-thiophen-3-ylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03506 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04234 148.0
[M+Na]+ 233.02428 157.1
[M+NH4]+ 228.06888 155.2
[M+K]+ 248.99822 151.8
[M-H]- 209.02778 147.9
[M+Na-2H]- 231.00973 151.1
[M]+ 210.03451 149.4
[M]- 210.03561 149.4
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.