CID 14493534

123506-64-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

151.06332 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe