CID 116569

64265-45-8

Structural Information

Molecular Formula
C15H30N2O4
SMILES
CCCCCCCC(=O)NCCN(CCC(=O)O)CCO
InChI
InChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-14(19)16-9-11-17(12-13-18)10-8-15(20)21/h18H,2-13H2,1H3,(H,16,19)(H,20,21)
InChIKey
OKFFNIVTSMRGQI-UHFFFAOYSA-N
Compound name
3-[2-hydroxyethyl-[2-(octanoylamino)ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

302.22055 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22783 176.5
[M+Na]+ 325.20977 180.2
[M+NH4]+ 320.25437 179.7
[M+K]+ 341.18371 176.7
[M-H]- 301.21327 173.3
[M+Na-2H]- 323.19522 174.8
[M]+ 302.22000 175.3
[M]- 302.22110 175.3
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