CID 5935963

Ethyl ethoxycarbamidoethylthioacrylate

Structural Information

Molecular Formula
C10H17NO4S
SMILES
CCOC(=O)/C=C/SCCNC(=O)OCC
InChI
InChI=1S/C10H17NO4S/c1-3-14-9(12)5-7-16-8-6-11-10(13)15-4-2/h5,7H,3-4,6,8H2,1-2H3,(H,11,13)/b7-5+
InChIKey
OQVZSVWRMKJRQE-FNORWQNLSA-N
Compound name
ethyl (E)-3-[2-(ethoxycarbonylamino)ethylsulfanyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09511 157.1
[M+Na]+ 270.07705 161.9
[M-H]- 246.08055 156.7
[M+NH4]+ 265.12165 174.4
[M+K]+ 286.05099 160.3
[M+H-H2O]+ 230.08509 150.6
[M+HCOO]- 292.08603 174.5
[M+CH3COO]- 306.10168 192.1
[M+Na-2H]- 268.06250 156.9
[M]+ 247.08728 163.1
[M]- 247.08838 163.1
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.