CID 155819840

2470436-88-3

Structural Information

Molecular Formula
C13H15NO4
SMILES
CCOC(C#CC1=CC(=CN=C1)C(=O)O)OCC
InChI
InChI=1S/C13H15NO4/c1-3-17-12(18-4-2)6-5-10-7-11(13(15)16)9-14-8-10/h7-9,12H,3-4H2,1-2H3,(H,15,16)
InChIKey
AQZAKVKWDHHOFS-UHFFFAOYSA-N
Compound name
5-(3,3-diethoxyprop-1-ynyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 154.8
[M+Na]+ 272.08933 165.1
[M+NH4]+ 267.13393 156.9
[M+K]+ 288.06327 157.6
[M-H]- 248.09283 146.1
[M+Na-2H]- 270.07478 155.9
[M]+ 249.09956 152.7
[M]- 249.10066 152.7
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

No patent data available for this compound.