CID 6455954

Disodium cocoamphodipropionate

Structural Information

Molecular Formula
C10H20N2O5
SMILES
C(CN(CCN)CCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C10H20N2O5/c11-3-5-12(4-1-9(13)14)6-8-17-7-2-10(15)16/h1-8,11H2,(H,13,14)(H,15,16)
InChIKey
GBOHIRDEQUPPHB-UHFFFAOYSA-N
Compound name
3-[2-aminoethyl-[2-(2-carboxyethoxy)ethyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4672
Patents

248.13722 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14450 157.2
[M+Na]+ 271.12644 160.1
[M-H]- 247.12994 154.7
[M+NH4]+ 266.17104 172.3
[M+K]+ 287.10038 160.4
[M+H-H2O]+ 231.13448 150.4
[M+HCOO]- 293.13542 178.1
[M+CH3COO]- 307.15107 197.1
[M+Na-2H]- 269.11189 157.4
[M]+ 248.13667 159.2
[M]- 248.13777 159.2
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

patents stripe