CID 79020525

5-(morpholin-4-ylmethyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1COCCN1CC2=CN=C(C=C2)C(=O)O
InChI
InChI=1S/C11H14N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1-2,7H,3-6,8H2,(H,14,15)
InChIKey
JBLXBBXKIFHEBB-UHFFFAOYSA-N
Compound name
5-(morpholin-4-ylmethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.10045 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.0
[M+Na]+ 245.08967 154.3
[M-H]- 221.09317 151.5
[M+NH4]+ 240.13427 161.9
[M+K]+ 261.06361 153.0
[M+H-H2O]+ 205.09771 140.3
[M+HCOO]- 267.09865 164.8
[M+CH3COO]- 281.11430 184.3
[M+Na-2H]- 243.07512 154.1
[M]+ 222.09990 145.9
[M]- 222.10100 145.9
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