CID 28375672

897958-24-6

Structural Information

Molecular Formula
C9H11NO4
SMILES
COCCOC1=NC=CC(=C1)C(=O)O
InChI
InChI=1S/C9H11NO4/c1-13-4-5-14-8-6-7(9(11)12)2-3-10-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey
VGBPUMOJCXEQQV-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

197.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 139.6
[M+Na]+ 220.058018 147.3
[M-H]- 196.061524 140.6
[M+NH4]+ 215.102623 156.8
[M+K]+ 236.031958 146.3
[M+H-H2O]+ 180.066060 132.8
[M+HCOO]- 242.067001 161.4
[M+CH3COO]- 256.082651 180.6
[M+Na-2H]- 218.043466 145.5
[M]+ 197.06825142 142.9
[M]- 197.06934858 142.9
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