CID 57483134

Disodium caproamphodipropionate

Structural Information

Molecular Formula
C20H38N2O6
SMILES
CCCCCCCCCC(=O)NCCN(CCC(=O)O)CCOCCC(=O)O
InChI
InChI=1S/C20H38N2O6/c1-2-3-4-5-6-7-8-9-18(23)21-12-14-22(13-10-19(24)25)15-17-28-16-11-20(26)27/h2-17H2,1H3,(H,21,23)(H,24,25)(H,26,27)
InChIKey
GXZVSYRAJYWOAN-UHFFFAOYSA-N
Compound name
3-[2-(2-carboxyethoxy)ethyl-[2-(decanoylamino)ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1191
Patents

402.27298 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28026 202.6
[M+Na]+ 425.26220 224.3
[M-H]- 401.26570 213.6
[M+NH4]+ 420.30680 217.7
[M+K]+ 441.23614 200.2
[M+H-H2O]+ 385.27024 194.1
[M+HCOO]- 447.27118 216.8
[M+CH3COO]- 461.28683 228.7
[M+Na-2H]- 423.24765 198.0
[M]+ 402.27243 210.1
[M]- 402.27353 210.1
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.