CID 440848

N-succinyl-l-glutamate 5-semialdehyde

Structural Information

Molecular Formula
C9H13NO6
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)C=O
InChI
InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey
XTOKIEIBKARFSZ-LURJTMIESA-N
Compound name
(2S)-2-(3-carboxypropanoylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

231.07428 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08156 150.8
[M+Na]+ 254.06350 155.3
[M+NH4]+ 249.10810 153.3
[M+K]+ 270.03744 154.8
[M-H]- 230.06700 145.3
[M+Na-2H]- 252.04895 148.9
[M]+ 231.07373 148.9
[M]- 231.07483 148.9
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