CID 14223475

3-(2-methoxypyridin-4-yl)propanoic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=NC=CC(=C1)CCC(=O)O
InChI
InChI=1S/C9H11NO3/c1-13-8-6-7(4-5-10-8)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKey
UIRMZWVSXQGAQI-UHFFFAOYSA-N
Compound name
3-(2-methoxypyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

181.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.8
[M+Na]+ 204.06312 144.7
[M-H]- 180.06662 137.9
[M+NH4]+ 199.10772 154.8
[M+K]+ 220.03706 143.2
[M+H-H2O]+ 164.07116 130.4
[M+HCOO]- 226.07210 158.5
[M+CH3COO]- 240.08775 178.5
[M+Na-2H]- 202.04857 142.7
[M]+ 181.07335 138.8
[M]- 181.07445 138.8
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