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

44
Patents

167.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.1
[M+Na]+ 190.047458 140.1
[M-H]- 166.050964 133.7
[M+NH4]+ 185.092063 150.5
[M+K]+ 206.021398 139.3
[M+H-H2O]+ 150.055500 124.5
[M+HCOO]- 212.056441 155.7
[M+CH3COO]- 226.072091 177.2
[M+Na-2H]- 188.032906 139.3
[M]+ 167.05769142 135.2
[M]- 167.05878858 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