CID 11332503

82257-15-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

182
Patents

137.04768 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.9
[M+Na]+ 160.03690 138.6
[M+NH4]+ 155.08150 133.3
[M+K]+ 176.01084 132.4
[M-H]- 136.04040 126.4
[M+Na-2H]- 158.02235 132.6
[M]+ 137.04713 127.2
[M]- 137.04823 127.2
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