CID 3364576

6-methoxy-3-pyridinecarboxaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
COC1=NC=C(C=C1)C=O
InChI
InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3
InChIKey
CTAIEPPAOULMFY-UHFFFAOYSA-N
Compound name
6-methoxypyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2064
Patents

137.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 123.4
[M+Na]+ 160.03690 132.9
[M-H]- 136.04040 126.2
[M+NH4]+ 155.08150 144.1
[M+K]+ 176.01084 131.9
[M+H-H2O]+ 120.04494 117.3
[M+HCOO]- 182.04588 148.1
[M+CH3COO]- 196.06153 172.2
[M+Na-2H]- 158.02235 132.2
[M]+ 137.04713 125.7
[M]- 137.04823 125.7
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