CID 85152

15871-78-0

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC1=NC=C(C(=C1O)CO)COC(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H14N2O4/c1-9-13(18)12(7-17)11(6-16-9)8-20-14(19)10-3-2-4-15-5-10/h2-6,17-18H,7-8H2,1H3
InChIKey
LOZUXFQXMUUIGR-UHFFFAOYSA-N
Compound name
[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

274.09537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 161.4
[M+Na]+ 297.08459 169.6
[M-H]- 273.08809 163.3
[M+NH4]+ 292.12919 173.5
[M+K]+ 313.05853 165.8
[M+H-H2O]+ 257.09263 152.7
[M+HCOO]- 319.09357 180.1
[M+CH3COO]- 333.10922 193.7
[M+Na-2H]- 295.07004 165.3
[M]+ 274.09482 163.2
[M]- 274.09592 163.2
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