CID 9543385

6-(6-(6-aminohexanamido)hexanamido)hexanoic acid

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 191.9
[M+Na]+ 380.25198 191.0
[M-H]- 356.25548 188.0
[M+NH4]+ 375.29658 202.4
[M+K]+ 396.22592 188.6
[M+H-H2O]+ 340.26002 183.5
[M+HCOO]- 402.26096 211.2
[M+CH3COO]- 416.27661 222.0
[M+Na-2H]- 378.23743 188.4
[M]+ 357.26221 193.7
[M]- 357.26331 193.7
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.