CID 71587544

Sodium capryloamphoacetate

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CCCCCCCC(=O)NCCN(CCO)CC(=O)O
InChI
InChI=1S/C14H28N2O4/c1-2-3-4-5-6-7-13(18)15-8-9-16(10-11-17)12-14(19)20/h17H,2-12H2,1H3,(H,15,18)(H,19,20)
InChIKey
AQWPZUCYKRCHNG-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-(octanoylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

861
Patents

288.2049 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 173.3
[M+Na]+ 311.19412 174.7
[M-H]- 287.19762 170.6
[M+NH4]+ 306.23872 187.2
[M+K]+ 327.16806 173.8
[M+H-H2O]+ 271.20216 166.1
[M+HCOO]- 333.20310 193.3
[M+CH3COO]- 347.21875 206.8
[M+Na-2H]- 309.17957 172.4
[M]+ 288.20435 176.3
[M]- 288.20545 176.3
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.