CID 14032359

25230-59-5

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

84
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 130.1
[M+Na]+ 188.03181 139.2
[M-H]- 164.03531 132.9
[M+NH4]+ 183.07641 149.5
[M+K]+ 204.00575 138.3
[M+H-H2O]+ 148.03985 123.8
[M+HCOO]- 210.04079 153.9
[M+CH3COO]- 224.05644 176.5
[M+Na-2H]- 186.01726 137.1
[M]+ 165.04204 132.8
[M]- 165.04314 132.8
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