CID 45091058

666234-13-5

Structural Information

Molecular Formula
C8H9NO3
SMILES
COCOC1=C(C=CN=C1)C=O
InChI
InChI=1S/C8H9NO3/c1-11-6-12-8-4-9-3-2-7(8)5-10/h2-5H,6H2,1H3
InChIKey
VDGILGBFPIUZAI-UHFFFAOYSA-N
Compound name
3-(methoxymethoxy)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.1
[M+Na]+ 190.04746 140.1
[M-H]- 166.05096 133.7
[M+NH4]+ 185.09206 150.5
[M+K]+ 206.02140 139.3
[M+H-H2O]+ 150.05550 124.5
[M+HCOO]- 212.05644 155.7
[M+CH3COO]- 226.07209 177.2
[M+Na-2H]- 188.03291 139.3
[M]+ 167.05769 135.2
[M]- 167.05879 135.2
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