CID 167715124

3,6-dimethoxy-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula
C7H13NO2
SMILES
COC1CCC(=NC1)OC
InChI
InChI=1S/C7H13NO2/c1-9-6-3-4-7(10-2)8-5-6/h6H,3-5H2,1-2H3
InChIKey
KYXMDLOHHXPNHC-UHFFFAOYSA-N
Compound name
3,6-dimethoxy-2,3,4,5-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.9
[M+Na]+ 166.08386 136.1
[M-H]- 142.08736 131.0
[M+NH4]+ 161.12846 149.4
[M+K]+ 182.05780 136.2
[M+H-H2O]+ 126.09190 122.8
[M+HCOO]- 188.09284 150.5
[M+CH3COO]- 202.10849 173.1
[M+Na-2H]- 164.06931 135.6
[M]+ 143.09409 129.0
[M]- 143.09519 129.0
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

No patent data available for this compound.