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]+ 276.18056 167.5
[M+Na]+ 298.16250 170.0
[M-H]- 274.16600 165.0
[M+NH4]+ 293.20710 182.2
[M+K]+ 314.13644 169.8
[M+H-H2O]+ 258.17054 160.8
[M+HCOO]- 320.17148 187.0
[M+CH3COO]- 334.18713 201.3
[M+Na-2H]- 296.14795 166.9
[M]+ 275.17273 172.5
[M]- 275.17383 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.