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

1329
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 206.0
[M+Na]+ 408.35604 203.5
[M-H]- 384.35954 203.1
[M+NH4]+ 403.40064 216.5
[M+K]+ 424.32998 200.7
[M+H-H2O]+ 368.36408 196.8
[M+HCOO]- 430.36502 226.1
[M+CH3COO]- 444.38067 234.7
[M+Na-2H]- 406.34149 203.0
[M]+ 385.36627 211.6
[M]- 385.36737 211.6
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