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

364
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 163.4
[M+Na]+ 304.06139 169.2
[M-H]- 280.06489 166.6
[M+NH4]+ 299.10599 179.3
[M+K]+ 320.03533 166.3
[M+H-H2O]+ 264.06943 156.2
[M+HCOO]- 326.07037 181.7
[M+CH3COO]- 340.08602 198.4
[M+Na-2H]- 302.04684 164.0
[M]+ 281.07162 168.6
[M]- 281.07272 168.6
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