CID 176379

68298-19-1

Structural Information

Molecular Formula
C18H35N2O6
SMILES
CCCCCCCCCC(=O)NCC[N+](CCO)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C18H34N2O6/c1-2-3-4-5-6-7-8-9-16(22)19-10-11-20(12-13-21,14-17(23)24)15-18(25)26/h21H,2-15H2,1H3,(H2-,19,22,23,24,25,26)/p+1
InChIKey
BKBMDALNEOCYRP-UHFFFAOYSA-O
Compound name
bis(carboxymethyl)-[2-(decanoylamino)ethyl]-(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.25678 189.5
[M+Na]+ 398.23872 193.2
[M+NH4]+ 393.28332 177.0
[M+K]+ 414.21266 173.1
[M-H]- 374.24222 171.7
[M+Na-2H]- 396.22417 187.0
[M]+ 375.24895 188.4
[M]- 375.25005 188.4
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.