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

9
Patents

252.07462 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 154.0
[M+Na]+ 275.06384 158.2
[M-H]- 251.06734 153.1
[M+NH4]+ 270.10844 167.1
[M+K]+ 291.03778 157.0
[M+H-H2O]+ 235.07188 146.6
[M+HCOO]- 297.07282 172.3
[M+CH3COO]- 311.08847 190.8
[M+Na-2H]- 273.04929 155.8
[M]+ 252.07407 153.0
[M]- 252.07517 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