CID 24229576

886851-55-4

Structural Information

Molecular Formula
C11H13NO4
SMILES
C1COCCC1OC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H13NO4/c13-11(14)8-1-2-10(12-7-8)16-9-3-5-15-6-4-9/h1-2,7,9H,3-6H2,(H,13,14)
InChIKey
OLOSQIMMFCSJHD-UHFFFAOYSA-N
Compound name
6-(oxan-4-yloxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

223.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.0
[M+Na]+ 246.07368 152.1
[M-H]- 222.07718 150.9
[M+NH4]+ 241.11828 161.1
[M+K]+ 262.04762 151.6
[M+H-H2O]+ 206.08172 139.0
[M+HCOO]- 268.08266 164.3
[M+CH3COO]- 282.09831 183.6
[M+Na-2H]- 244.05913 152.2
[M]+ 223.08391 144.8
[M]- 223.08501 144.8
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