CID 19295

17066-08-9

Structural Information

Molecular Formula
C18H35NO4
SMILES
CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)
InChIKey
XYYUAOIALFMRGY-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(dodecyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

6280
Patents

329.25662 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.26390 185.6
[M+Na]+ 352.24584 189.9
[M+NH4]+ 347.29044 188.7
[M+K]+ 368.21978 185.3
[M-H]- 328.24934 182.0
[M+Na-2H]- 350.23129 183.5
[M]+ 329.25607 184.5
[M]- 329.25717 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe