CID 109972

68298-18-0

Structural Information

Molecular Formula
C16H30N2O6
SMILES
CCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C16H30N2O6/c1-2-3-4-5-6-7-14(19)17-8-9-18(12-15(20)21)10-11-24-13-16(22)23/h2-13H2,1H3,(H,17,19)(H,20,21)(H,22,23)
InChIKey
AYVURSOEGHIHDH-UHFFFAOYSA-N
Compound name
2-[2-(carboxymethoxy)ethyl-[2-(octanoylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2400
Patents

346.2104 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21768 185.1
[M+Na]+ 369.19962 185.4
[M-H]- 345.20312 182.1
[M+NH4]+ 364.24422 203.2
[M+K]+ 385.17356 185.3
[M+H-H2O]+ 329.20766 177.3
[M+HCOO]- 391.20860 203.8
[M+CH3COO]- 405.22425 217.0
[M+Na-2H]- 367.18507 182.4
[M]+ 346.20985 190.4
[M]- 346.21095 190.4
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.