CID 87219

Bis-caprylylaminoethyl glycine

Structural Information

Molecular Formula
C22H47N3O2
SMILES
CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O
InChI
InChI=1S/C22H47N3O2/c1-3-5-7-9-11-13-15-23-17-19-25(21-22(26)27)20-18-24-16-14-12-10-8-6-4-2/h23-24H,3-21H2,1-2H3,(H,26,27)
InChIKey
RTHZICFVEFQDCR-UHFFFAOYSA-N
Compound name
2-[bis[2-(octylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

911
Patents

385.36682 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.37410 205.1
[M+Na]+ 408.35604 207.8
[M+NH4]+ 403.40064 229.8
[M+K]+ 424.32998 201.0
[M-H]- 384.35954 203.9
[M+Na-2H]- 406.34149 203.3
[M]+ 385.36627 204.4
[M]- 385.36737 204.4
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