CID 72214123

448907-06-0

Structural Information

Molecular Formula
C9H9NO3
SMILES
CC1=CC(=CC(=N1)C=O)C(=O)OC
InChI
InChI=1S/C9H9NO3/c1-6-3-7(9(12)13-2)4-8(5-11)10-6/h3-5H,1-2H3
InChIKey
VAGVEQGDRLECIX-UHFFFAOYSA-N
Compound name
methyl 2-formyl-6-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.0
[M+Na]+ 202.047458 143.6
[M-H]- 178.050964 137.0
[M+NH4]+ 197.092063 153.2
[M+K]+ 218.021398 142.5
[M+H-H2O]+ 162.055500 127.7
[M+HCOO]- 224.056441 157.4
[M+CH3COO]- 238.072091 180.7
[M+Na-2H]- 200.032906 139.8
[M]+ 179.05769142 137.5
[M]- 179.05878858 137.5
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