CID 2763733

2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCOC(=O)CC1=C(C=CC=N1)C(=O)O
InChI
InChI=1S/C10H11NO4/c1-2-15-9(12)6-8-7(10(13)14)4-3-5-11-8/h3-5H,2,6H2,1H3,(H,13,14)
InChIKey
HWWYQJVDTXVUMB-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

209.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.1
[M+Na]+ 232.05802 150.5
[M-H]- 208.06152 144.2
[M+NH4]+ 227.10262 159.8
[M+K]+ 248.03196 149.3
[M+H-H2O]+ 192.06606 136.4
[M+HCOO]- 254.06700 163.9
[M+CH3COO]- 268.08265 183.0
[M+Na-2H]- 230.04347 147.3
[M]+ 209.06825 145.5
[M]- 209.06935 145.5
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