CID 440847

N(2)-succinylglutamate

Structural Information

Molecular Formula
C9H13NO7
SMILES
C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)O
InChI
InChI=1S/C9H13NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1
InChIKey
JCNBNOQGFSXOML-YFKPBYRVSA-N
Compound name
(2S)-2-(3-carboxypropanoylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

61
Patents

247.0692 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07648 151.8
[M+Na]+ 270.05842 155.1
[M-H]- 246.06192 147.4
[M+NH4]+ 265.10302 165.7
[M+K]+ 286.03236 155.3
[M+H-H2O]+ 230.06646 146.1
[M+HCOO]- 292.06740 168.5
[M+CH3COO]- 306.08305 188.9
[M+Na-2H]- 268.04387 150.1
[M]+ 247.06865 151.6
[M]- 247.06975 151.6
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