CID 3087262

L-glutamic acid, n-(3-pyridinylcarbonyl)-, disodium salt

Structural Information

Molecular Formula
C11H12N2O5
SMILES
C1=CC(=CN=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C11H12N2O5/c14-9(15)4-3-8(11(17)18)13-10(16)7-2-1-5-12-6-7/h1-2,5-6,8H,3-4H2,(H,13,16)(H,14,15)(H,17,18)/t8-/m0/s1
InChIKey
AVZPLYMIFGFBRM-QMMMGPOBSA-N
Compound name
(2S)-2-(pyridine-3-carbonylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

252.07462 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.081896 154.0
[M+Na]+ 275.063838 158.2
[M-H]- 251.067344 153.1
[M+NH4]+ 270.108443 167.1
[M+K]+ 291.037778 157.0
[M+H-H2O]+ 235.071880 146.6
[M+HCOO]- 297.072821 172.3
[M+CH3COO]- 311.088471 190.8
[M+Na-2H]- 273.049286 155.8
[M]+ 252.07407142 153.0
[M]- 252.07516858 153.0
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