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 160.3
[M+Na]+ 305.07439 164.8
[M-H]- 281.07789 159.6
[M+NH4]+ 300.11899 172.3
[M+K]+ 321.04833 164.1
[M+H-H2O]+ 265.08243 152.7
[M+HCOO]- 327.08337 178.4
[M+CH3COO]- 341.09902 197.4
[M+Na-2H]- 303.05984 161.1
[M]+ 282.08462 161.5
[M]- 282.08572 161.5
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.