CID 508460

2-decylsulfonyl-n-(2,3-dihydroxypropyl)acetamide

Structural Information

Molecular Formula
C15H31NO5S
SMILES
CCCCCCCCCCS(=O)(=O)CC(=O)NCC(CO)O
InChI
InChI=1S/C15H31NO5S/c1-2-3-4-5-6-7-8-9-10-22(20,21)13-15(19)16-11-14(18)12-17/h14,17-18H,2-13H2,1H3,(H,16,19)
InChIKey
ZIIXMLNXEQARQH-UHFFFAOYSA-N
Compound name
2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

337.1923 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19958 182.1
[M+Na]+ 360.18152 183.6
[M-H]- 336.18502 177.7
[M+NH4]+ 355.22612 194.1
[M+K]+ 376.15546 180.1
[M+H-H2O]+ 320.18956 175.4
[M+HCOO]- 382.19050 193.5
[M+CH3COO]- 396.20615 206.6
[M+Na-2H]- 358.16697 179.9
[M]+ 337.19175 187.2
[M]- 337.19285 187.2
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

No patent data available for this compound.