CID 2762996

2-methoxypyridine-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

550
Patents

137.04768 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe