CID 14032359

Methyl 2-formylnicotinate

Structural Information

Molecular Formula
C8H7NO3
SMILES
COC(=O)C1=C(N=CC=C1)C=O
InChI
InChI=1S/C8H7NO3/c1-12-8(11)6-3-2-4-9-7(6)5-10/h2-5H,1H3
InChIKey
SPCNFHHJOBSFFV-UHFFFAOYSA-N
Compound name
methyl 2-formylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

165.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 132.0
[M+Na]+ 188.03181 144.7
[M+NH4]+ 183.07641 139.2
[M+K]+ 204.00575 139.5
[M-H]- 164.03531 132.4
[M+Na-2H]- 186.01726 138.4
[M]+ 165.04204 133.7
[M]- 165.04314 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe