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 205.1
[M+Na]+ 398.23872 212.0
[M-H]- 374.24222 205.3
[M+NH4]+ 393.28332 204.9
[M+K]+ 414.21266 203.7
[M+H-H2O]+ 358.24676 186.3
[M+HCOO]- 420.24770 212.6
[M+CH3COO]- 434.26335 212.0
[M+Na-2H]- 396.22417 194.5
[M]+ 375.24895 199.4
[M]- 375.25005 199.4
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.