CID 147523

Nooglutil

Structural Information

Molecular Formula
C11H12N2O6
SMILES
C1=C(C=NC=C1O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C11H12N2O6/c14-7-3-6(4-12-5-7)10(17)13-8(11(18)19)1-2-9(15)16/h3-5,8,14H,1-2H2,(H,13,17)(H,15,16)(H,18,19)/t8-/m0/s1
InChIKey
XFZGYOJFPGPYCS-QMMMGPOBSA-N
Compound name
(2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

52
Patents

268.06955 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07683 157.6
[M+Na]+ 291.05877 164.1
[M+NH4]+ 286.10337 160.1
[M+K]+ 307.03271 163.7
[M-H]- 267.06227 153.9
[M+Na-2H]- 289.04422 158.4
[M]+ 268.06900 156.6
[M]- 268.07010 156.6
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