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

6
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.0
[M+Na]+ 202.04746 143.6
[M-H]- 178.05096 137.0
[M+NH4]+ 197.09206 153.2
[M+K]+ 218.02140 142.5
[M+H-H2O]+ 162.05550 127.7
[M+HCOO]- 224.05644 157.4
[M+CH3COO]- 238.07209 180.7
[M+Na-2H]- 200.03291 139.8
[M]+ 179.05769 137.5
[M]- 179.05879 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