CID 44147423

94441-92-6

Structural Information

Molecular Formula
C14H27NO4
SMILES
CCCCC(CC)CN(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C14H27NO4/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
OAHNQUKKWVAYGR-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(2-ethylhexyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

273.194 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20128 168.4
[M+Na]+ 296.18322 173.2
[M+NH4]+ 291.22782 172.1
[M+K]+ 312.15716 170.3
[M-H]- 272.18672 164.8
[M+Na-2H]- 294.16867 166.9
[M]+ 273.19345 167.3
[M]- 273.19455 167.3
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