CID 440333

N-succinyl-ll-2,6-diaminopimelic acid

Structural Information

Molecular Formula
C11H18N2O7
SMILES
C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CCC(=O)O
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-BQBZGAKWSA-N
Compound name
(2S,6S)-2-amino-6-(3-carboxypropanoylamino)heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

65
Patents

290.1114 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.118676 164.9
[M+Na]+ 313.100618 166.2
[M-H]- 289.104124 159.6
[M+NH4]+ 308.145223 176.2
[M+K]+ 329.074558 166.6
[M+H-H2O]+ 273.108660 158.3
[M+HCOO]- 335.109601 180.3
[M+CH3COO]- 349.125251 201.1
[M+Na-2H]- 311.086066 160.1
[M]+ 290.11085142 162.8
[M]- 290.11194858 162.8
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.