CID 508463

Methyl 3-decylsulfonylprop-2-enoate

Structural Information

Molecular Formula
C14H26O4S
SMILES
CCCCCCCCCCS(=O)(=O)C=CC(=O)OC
InChI
InChI=1S/C14H26O4S/c1-3-4-5-6-7-8-9-10-12-19(16,17)13-11-14(15)18-2/h11,13H,3-10,12H2,1-2H3
InChIKey
TVVMTTKQTQQEQB-UHFFFAOYSA-N
Compound name
methyl 3-decylsulfonylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.15518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16246 170.1
[M+Na]+ 313.14440 175.0
[M-H]- 289.14790 169.4
[M+NH4]+ 308.18900 186.2
[M+K]+ 329.11834 171.9
[M+H-H2O]+ 273.15244 164.1
[M+HCOO]- 335.15338 185.1
[M+CH3COO]- 349.16903 199.2
[M+Na-2H]- 311.12985 169.6
[M]+ 290.15463 178.2
[M]- 290.15573 178.2
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