CID 67345

Dodecanamide, n-(2-(sulfooxy)ethyl)-, sodium salt (1:1)

Structural Information

Molecular Formula
C14H29NO5S
SMILES
CCCCCCCCCCCC(=O)NCCOS(=O)(=O)O
InChI
InChI=1S/C14H29NO5S/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20-21(17,18)19/h2-13H2,1H3,(H,15,16)(H,17,18,19)
InChIKey
GFGUQCUVKOEAKT-UHFFFAOYSA-N
Compound name
2-(dodecanoylamino)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

323.17664 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18392 177.5
[M+Na]+ 346.16586 180.2
[M-H]- 322.16936 174.7
[M+NH4]+ 341.21046 190.9
[M+K]+ 362.13980 177.2
[M+H-H2O]+ 306.17390 170.6
[M+HCOO]- 368.17484 191.8
[M+CH3COO]- 382.19049 205.2
[M+Na-2H]- 344.15131 177.2
[M]+ 323.17609 184.8
[M]- 323.17719 184.8
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