CID 3059672

N-(2-methoxynicotinoyl)glutamic acid

Structural Information

Molecular Formula
C12H14N2O6
SMILES
COC1=C(C=CC=N1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C12H14N2O6/c1-20-11-7(3-2-6-13-11)10(17)14-8(12(18)19)4-5-9(15)16/h2-3,6,8H,4-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t8-/m0/s1
InChIKey
QDZPKXXNXLAZMU-QMMMGPOBSA-N
Compound name
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08517 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09245 161.4
[M+Na]+ 305.07439 168.2
[M+NH4]+ 300.11899 164.1
[M+K]+ 321.04833 167.3
[M-H]- 281.07789 158.2
[M+Na-2H]- 303.05984 162.6
[M]+ 282.08462 160.6
[M]- 282.08572 160.6
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

No patent data available for this compound.