CID 83670795

3-methoxy-5-methylpicolinaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.5
[M+Na]+ 174.052538 137.5
[M-H]- 150.056044 130.5
[M+NH4]+ 169.097143 147.9
[M+K]+ 190.026478 136.3
[M+H-H2O]+ 134.060580 121.5
[M+HCOO]- 196.061521 151.8
[M+CH3COO]- 210.077171 176.3
[M+Na-2H]- 172.037986 135.0
[M]+ 151.06277142 130.6
[M]- 151.06386858 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