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

8
Patents

181.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.0
[M+Na]+ 204.06312 144.3
[M-H]- 180.06662 138.5
[M+NH4]+ 199.10772 154.7
[M+K]+ 220.03706 143.8
[M+H-H2O]+ 164.07116 129.3
[M+HCOO]- 226.07210 159.2
[M+CH3COO]- 240.08775 181.1
[M+Na-2H]- 202.04857 142.4
[M]+ 181.07335 139.9
[M]- 181.07445 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