CID 59273262

Dtxsid401035733

Structural Information

Molecular Formula
C13H15NO4S
SMILES
CSC1=CC=CC(=C1)NC(=O)OCCOC(=O)C=C
InChI
InChI=1S/C13H15NO4S/c1-3-12(15)17-7-8-18-13(16)14-10-5-4-6-11(9-10)19-2/h3-6,9H,1,7-8H2,2H3,(H,14,16)
InChIKey
FYRZOXZLXPDHOF-UHFFFAOYSA-N
Compound name
2-[(3-methylsulfanylphenyl)carbamoyloxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

281.07217 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07945 164.1
[M+Na]+ 304.06139 173.1
[M+NH4]+ 299.10599 170.0
[M+K]+ 320.03533 166.2
[M-H]- 280.06489 164.4
[M+Na-2H]- 302.04684 167.6
[M]+ 281.07162 165.5
[M]- 281.07272 165.5
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

patents stripe