CID 440719

L-2-acetamido-6-oxopimelate

Structural Information

Molecular Formula
C9H13NO6
SMILES
CC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey
RVHKMLVNOXVQRH-LURJTMIESA-N
Compound name
(2S)-2-acetamido-6-oxoheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

231.07428 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08156 150.6
[M+Na]+ 254.06350 154.7
[M+NH4]+ 249.10810 152.9
[M+K]+ 270.03744 155.1
[M-H]- 230.06700 144.9
[M+Na-2H]- 252.04895 148.3
[M]+ 231.07373 148.6
[M]- 231.07483 148.6
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