CID 14493543

123506-69-4

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=C(C(=NC=C1)C=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-3-4-9-7(5-10)8(6)11-2/h3-5H,1-2H3
InChIKey
LCBGLWHTPALGJO-UHFFFAOYSA-N
Compound name
3-methoxy-4-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.5
[M+Na]+ 174.05254 137.5
[M-H]- 150.05604 130.5
[M+NH4]+ 169.09714 147.9
[M+K]+ 190.02648 136.3
[M+H-H2O]+ 134.06058 121.5
[M+HCOO]- 196.06152 151.8
[M+CH3COO]- 210.07717 176.3
[M+Na-2H]- 172.03799 135.0
[M]+ 151.06277 130.6
[M]- 151.06387 130.6
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