CID 44150648

70776-18-0

Structural Information

Molecular Formula
C16H31N2O6
SMILES
CCCCCCCC(=O)NCC[N+](CCO)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C16H30N2O6/c1-2-3-4-5-6-7-14(20)17-8-9-18(10-11-19,12-15(21)22)13-16(23)24/h19H,2-13H2,1H3,(H2-,17,20,21,22,23,24)/p+1
InChIKey
CHZXGLMJPORNHI-UHFFFAOYSA-O
Compound name
bis(carboxymethyl)-(2-hydroxyethyl)-[2-(octanoylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2182 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.22548 181.1
[M+Na]+ 370.20742 185.1
[M+NH4]+ 365.25202 170.2
[M+K]+ 386.18136 184.4
[M-H]- 346.21092 177.4
[M+Na-2H]- 368.19287 179.0
[M]+ 347.21765 180.0
[M]- 347.21875 180.0
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.