CID 75360947

1259319-33-9

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1COCCN1C2=C(C=CN=C2)C(=O)O
InChI
InChI=1S/C10H12N2O3/c13-10(14)8-1-2-11-7-9(8)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H,13,14)
InChIKey
ZGHKJSSJIBZOFD-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

208.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 144.5
[M+Na]+ 231.074018 150.2
[M-H]- 207.077524 147.2
[M+NH4]+ 226.118623 157.9
[M+K]+ 247.047958 149.1
[M+H-H2O]+ 191.082060 136.0
[M+HCOO]- 253.083001 160.6
[M+CH3COO]- 267.098651 181.3
[M+Na-2H]- 229.059466 150.1
[M]+ 208.08425142 141.0
[M]- 208.08534858 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

No literature data available for this compound.

Patent stripe

patents stripe