CID 440349

L-2-succinylamino-6-oxoheptanedioic acid

Structural Information

Molecular Formula
C11H15NO8
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CC(=O)C(=O)O
InChI
InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1
InChIKey
SDVXSCSNVVZWDD-LURJTMIESA-N
Compound name
(2S)-2-(3-carboxypropanoylamino)-6-oxoheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

74
Patents

289.07977 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08705 160.9
[M+Na]+ 312.06899 163.3
[M-H]- 288.07249 156.2
[M+NH4]+ 307.11359 175.8
[M+K]+ 328.04293 163.8
[M+H-H2O]+ 272.07703 154.9
[M+HCOO]- 334.07797 172.4
[M+CH3COO]- 348.09362 197.4
[M+Na-2H]- 310.05444 157.3
[M]+ 289.07922 161.6
[M]- 289.08032 161.6
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