CID 63559237

2-(oxolan-3-yloxy)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1COCC1OC2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H11NO4/c12-10(13)7-1-3-11-9(5-7)15-8-2-4-14-6-8/h1,3,5,8H,2,4,6H2,(H,12,13)
InChIKey
YCDWONJBBVJNSS-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.0688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.2
[M+Na]+ 232.05802 148.6
[M-H]- 208.06152 146.7
[M+NH4]+ 227.10262 158.9
[M+K]+ 248.03196 148.3
[M+H-H2O]+ 192.06606 135.2
[M+HCOO]- 254.06700 162.1
[M+CH3COO]- 268.08265 180.1
[M+Na-2H]- 230.04347 146.4
[M]+ 209.06825 141.8
[M]- 209.06935 141.8
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