CID 22050404

884048-63-9

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1=CC=C(C=C1)COC2=CC(=O)N(C=C2)CC(=O)O
InChI
InChI=1S/C14H13NO4/c16-13-8-12(6-7-15(13)9-14(17)18)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKey
MQKHWXDYRPRSLQ-UHFFFAOYSA-N
Compound name
2-(2-oxo-4-phenylmethoxypyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

259.08447 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 155.2
[M+Na]+ 282.07369 163.2
[M-H]- 258.07719 159.6
[M+NH4]+ 277.11829 169.6
[M+K]+ 298.04763 159.9
[M+H-H2O]+ 242.08173 147.0
[M+HCOO]- 304.08267 177.0
[M+CH3COO]- 318.09832 192.0
[M+Na-2H]- 280.05914 160.3
[M]+ 259.08392 157.4
[M]- 259.08502 157.4
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