CID 9543375

6-aminohexanoate tetramer

Structural Information

Molecular Formula
C24H46N4O5
SMILES
C(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)CCN
InChI
InChI=1S/C24H46N4O5/c25-17-9-1-5-13-21(29)26-18-10-2-6-14-22(30)27-19-11-3-7-15-23(31)28-20-12-4-8-16-24(32)33/h1-20,25H2,(H,26,29)(H,27,30)(H,28,31)(H,32,33)
InChIKey
AFXWLACSNLWASU-UHFFFAOYSA-N
Compound name
6-[6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.34683 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.35411 233.3
[M+Na]+ 493.33605 245.0
[M-H]- 469.33955 234.8
[M+NH4]+ 488.38065 232.7
[M+K]+ 509.30999 237.2
[M+H-H2O]+ 453.34409 230.6
[M+HCOO]- 515.34503 229.8
[M+CH3COO]- 529.36068 246.5
[M+Na-2H]- 491.32150 221.1
[M]+ 470.34628 222.0
[M]- 470.34738 222.0
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.