CID 246663

Hexanoic acid, 6,6'-(carbonyldiimino)bis-

Structural Information

Molecular Formula
C13H24N2O5
SMILES
C(CCC(=O)O)CCNC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C13H24N2O5/c16-11(17)7-3-1-5-9-14-13(20)15-10-6-2-4-8-12(18)19/h1-10H2,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKey
LXNSSMBDZOAFCT-UHFFFAOYSA-N
Compound name
6-(5-carboxypentylcarbamoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

288.16852 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.175796 169.8
[M+Na]+ 311.157738 171.3
[M-H]- 287.161244 165.9
[M+NH4]+ 306.202343 182.8
[M+K]+ 327.131678 169.8
[M+H-H2O]+ 271.165780 162.7
[M+HCOO]- 333.166721 189.0
[M+CH3COO]- 347.182371 202.2
[M+Na-2H]- 309.143186 169.0
[M]+ 288.16797142 171.0
[M]- 288.16906858 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe