CID 71587414

Sodium caproamphoacetate

Structural Information

Molecular Formula
C16H32N2O4
SMILES
CCCCCCCCCC(=O)NCCN(CCO)CC(=O)O
InChI
InChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-15(20)17-10-11-18(12-13-19)14-16(21)22/h19H,2-14H2,1H3,(H,17,20)(H,21,22)
InChIKey
NHYQATFDRNEKNC-UHFFFAOYSA-N
Compound name
2-[2-(decanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1071
Patents

316.2362 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24348 180.8
[M+Na]+ 339.22542 184.3
[M+NH4]+ 334.27002 183.8
[M+K]+ 355.19936 180.5
[M-H]- 315.22892 177.6
[M+Na-2H]- 337.21087 178.9
[M]+ 316.23565 179.5
[M]- 316.23675 179.5
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.