CID 9543385

5776-78-3

Structural Information

Molecular Formula
C18H35N3O4
SMILES
C(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)CCN
InChI
InChI=1S/C18H35N3O4/c19-13-7-1-4-10-16(22)20-14-8-2-5-11-17(23)21-15-9-3-6-12-18(24)25/h1-15,19H2,(H,20,22)(H,21,23)(H,24,25)
InChIKey
JOIUZBTWMAYEQW-UHFFFAOYSA-N
Compound name
6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

357.26276 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27004 191.8
[M+Na]+ 380.25198 193.3
[M+NH4]+ 375.29658 210.3
[M+K]+ 396.22592 189.7
[M-H]- 356.25548 188.2
[M+Na-2H]- 378.23743 188.5
[M]+ 357.26221 189.9
[M]- 357.26331 189.9
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.