CID 109977

68298-22-6

Structural Information

Molecular Formula
C18H34N2O6
SMILES
CCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C18H34N2O6/c1-2-3-4-5-6-7-8-9-16(21)19-10-11-20(14-17(22)23)12-13-26-15-18(24)25/h2-15H2,1H3,(H,19,21)(H,22,23)(H,24,25)
InChIKey
DZIRUQQVMIQYMV-UHFFFAOYSA-N
Compound name
2-[2-(carboxymethoxy)ethyl-[2-(decanoylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1316
Patents

374.2417 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24898 193.9
[M+Na]+ 397.23092 193.4
[M-H]- 373.23442 207.0
[M+NH4]+ 392.27552 210.5
[M+K]+ 413.20486 192.8
[M+H-H2O]+ 357.23896 185.7
[M+HCOO]- 419.23990 210.3
[M+CH3COO]- 433.25555 222.9
[M+Na-2H]- 395.21637 190.2
[M]+ 374.24115 199.9
[M]- 374.24225 199.9
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.