CID 44250996

Disodium capryloamphodipropionate

Structural Information

Molecular Formula
C18H34N2O6
SMILES
CCCCCCCC(=O)NCCN(CCC(=O)O)CCOCCC(=O)O
InChI
InChI=1S/C18H34N2O6/c1-2-3-4-5-6-7-16(21)19-10-12-20(11-8-17(22)23)13-15-26-14-9-18(24)25/h2-15H2,1H3,(H,19,21)(H,22,23)(H,24,25)
InChIKey
IFFAYHOHEONRIW-UHFFFAOYSA-N
Compound name
3-[2-(2-carboxyethoxy)ethyl-[2-(octanoylamino)ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2446
Patents

374.2417 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24898 192.9
[M+Na]+ 397.23092 194.6
[M+NH4]+ 392.27552 214.3
[M+K]+ 413.20486 212.8
[M-H]- 373.23442 208.8
[M+Na-2H]- 395.21637 189.2
[M]+ 374.24115 190.7
[M]- 374.24225 190.7
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.