CID 87304195

3-(dimethoxymethyl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(C1=C(N=CC=C1)C=O)OC
InChI
InChI=1S/C9H11NO3/c1-12-9(13-2)7-4-3-5-10-8(7)6-11/h3-6,9H,1-2H3
InChIKey
AMJAHIIKMQGCFW-UHFFFAOYSA-N
Compound name
3-(dimethoxymethyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

181.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.0
[M+Na]+ 204.063118 144.3
[M-H]- 180.066624 138.5
[M+NH4]+ 199.107723 154.7
[M+K]+ 220.037058 143.8
[M+H-H2O]+ 164.071160 129.3
[M+HCOO]- 226.072101 159.2
[M+CH3COO]- 240.087751 181.1
[M+Na-2H]- 202.048566 142.4
[M]+ 181.07335142 139.9
[M]- 181.07444858 139.9
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