CID 23342555

71566-81-9

Structural Information

Molecular Formula
C18H32N2O6
SMILES
C(CCCNC(=O)CCCCC(=O)O)CCNC(=O)CCCCC(=O)O
InChI
InChI=1S/C18H32N2O6/c21-15(9-3-5-11-17(23)24)19-13-7-1-2-8-14-20-16(22)10-4-6-12-18(25)26/h1-14H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)
InChIKey
MEPUQBOGRIQCIP-UHFFFAOYSA-N
Compound name
6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.22604 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23332 192.7
[M+Na]+ 395.21526 192.1
[M-H]- 371.21876 187.9
[M+NH4]+ 390.25986 205.2
[M+K]+ 411.18920 190.1
[M+H-H2O]+ 355.22330 184.8
[M+HCOO]- 417.22424 206.2
[M+CH3COO]- 431.23989 219.3
[M+Na-2H]- 393.20071 188.5
[M]+ 372.22549 196.0
[M]- 372.22659 196.0
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

patents stripe