CID 15121205

55876-91-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
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

No literature data available for this compound.

Patent stripe

patents stripe