CID 39345739

Ethyl (3e)-2-oxo-4-(thiophen-3-yl)but-3-enoate

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 147.4
[M+Na]+ 233.02428 154.9
[M-H]- 209.02778 151.2
[M+NH4]+ 228.06888 168.3
[M+K]+ 248.99822 152.7
[M+H-H2O]+ 193.03232 141.8
[M+HCOO]- 255.03326 166.2
[M+CH3COO]- 269.04891 181.9
[M+Na-2H]- 231.00973 147.0
[M]+ 210.03451 151.4
[M]- 210.03561 151.4
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.