CID 6478731

(e)-3-decylsulfonylprop-2-enoic acid

Structural Information

Molecular Formula
C13H24O4S
SMILES
CCCCCCCCCCS(=O)(=O)/C=C/C(=O)O
InChI
InChI=1S/C13H24O4S/c1-2-3-4-5-6-7-8-9-11-18(16,17)12-10-13(14)15/h10,12H,2-9,11H2,1H3,(H,14,15)/b12-10+
InChIKey
LWJBERZNYTYDPV-ZRDIBKRKSA-N
Compound name
(E)-3-decylsulfonylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.13953 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14681 165.9
[M+Na]+ 299.12875 170.6
[M-H]- 275.13225 163.8
[M+NH4]+ 294.17335 181.8
[M+K]+ 315.10269 166.8
[M+H-H2O]+ 259.13679 160.3
[M+HCOO]- 321.13773 179.7
[M+CH3COO]- 335.15338 194.3
[M+Na-2H]- 297.11420 165.4
[M]+ 276.13898 171.7
[M]- 276.14008 171.7
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.