CID 44151892

139655-12-2

Structural Information

Molecular Formula
C13H25NO5
SMILES
CCCCCCOCCCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C13H25NO5/c1-2-3-4-5-8-19-9-6-7-14(10-12(15)16)11-13(17)18/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKey
AXVJJRLLKPKFOX-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(3-hexoxypropyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17328 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.180556 167.5
[M+Na]+ 298.162498 170.0
[M-H]- 274.166004 165.0
[M+NH4]+ 293.207103 182.2
[M+K]+ 314.136438 169.8
[M+H-H2O]+ 258.170540 160.8
[M+HCOO]- 320.171481 187.0
[M+CH3COO]- 334.187131 201.3
[M+Na-2H]- 296.147946 166.9
[M]+ 275.17273142 172.5
[M]- 275.17382858 172.5
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.