CID 25202447

N-succinyl-l,l-2,6-diaminopimelate

Structural Information

Molecular Formula
C11H18N2O7
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CC(C(=O)O)N
InChI
InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6?,7-/m0/s1
InChIKey
GLXUWZBUPATPBR-MLWJPKLSSA-N
Compound name
(6S)-2-amino-6-(3-carboxypropanoylamino)heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

64
Patents

290.1114 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11868 165.2
[M+Na]+ 313.10062 165.9
[M+NH4]+ 308.14522 183.0
[M+K]+ 329.07456 168.3
[M-H]- 289.10412 158.1
[M+Na-2H]- 311.08607 160.3
[M]+ 290.11085 161.9
[M]- 290.11195 161.9
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

patents stripe