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]+ 223.107726 149.0
[M+Na]+ 245.089668 154.3
[M-H]- 221.093174 151.5
[M+NH4]+ 240.134273 161.9
[M+K]+ 261.063608 153.0
[M+H-H2O]+ 205.097710 140.3
[M+HCOO]- 267.098651 164.8
[M+CH3COO]- 281.114301 184.3
[M+Na-2H]- 243.075116 154.1
[M]+ 222.09990142 145.9
[M]- 222.10099858 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