CID 103054

Octyloxypropyl-3-iminodipropionic acid, monosodium salt

Structural Information

Molecular Formula
C17H33NO5
SMILES
CCCCCCCCOCCCN(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C17H33NO5/c1-2-3-4-5-6-7-14-23-15-8-11-18(12-9-16(19)20)13-10-17(21)22/h2-15H2,1H3,(H,19,20)(H,21,22)
InChIKey
ZDEBXBNKHHPRDH-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(3-octoxypropyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

331.23587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.24315 183.7
[M+Na]+ 354.22509 187.8
[M+NH4]+ 349.26969 202.9
[M+K]+ 370.19903 184.0
[M-H]- 330.22859 179.7
[M+Na-2H]- 352.21054 181.4
[M]+ 331.23532 182.4
[M]- 331.23642 182.4
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.