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 182.2
[M+Na]+ 339.22542 182.7
[M-H]- 315.22892 179.1
[M+NH4]+ 334.27002 194.9
[M+K]+ 355.19936 181.3
[M+H-H2O]+ 299.23346 174.6
[M+HCOO]- 361.23440 201.5
[M+CH3COO]- 375.25005 212.7
[M+Na-2H]- 337.21087 180.2
[M]+ 316.23565 185.9
[M]- 316.23675 185.9
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.