CID 2776568

2-(morpholin-4-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1COCCN1C2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C10H12N2O3/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,13,14)
InChIKey
YDUPMJIUJMCXAL-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

181
Patents

208.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 144.5
[M+Na]+ 231.07402 150.2
[M-H]- 207.07752 147.2
[M+NH4]+ 226.11862 157.9
[M+K]+ 247.04796 149.1
[M+H-H2O]+ 191.08206 136.0
[M+HCOO]- 253.08300 160.6
[M+CH3COO]- 267.09865 181.3
[M+Na-2H]- 229.05947 150.1
[M]+ 208.08425 141.0
[M]- 208.08535 141.0
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