CID 117316

Dodecanamide, n-(2-(sulfooxy)propyl)-, monosodium salt

Structural Information

Molecular Formula
C15H31NO5S
SMILES
CCCCCCCCCCCC(=O)NCC(C)OS(=O)(=O)O
InChI
InChI=1S/C15H31NO5S/c1-3-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)21-22(18,19)20/h14H,3-13H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKey
JWBGFYPIIFWOLC-UHFFFAOYSA-N
Compound name
1-(dodecanoylamino)propan-2-yl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1923 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19958 182.2
[M+Na]+ 360.18152 184.2
[M-H]- 336.18502 179.3
[M+NH4]+ 355.22612 194.9
[M+K]+ 376.15546 181.5
[M+H-H2O]+ 320.18956 175.3
[M+HCOO]- 382.19050 195.1
[M+CH3COO]- 396.20615 209.0
[M+Na-2H]- 358.16697 180.4
[M]+ 337.19175 189.2
[M]- 337.19285 189.2
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.