CID 18918720

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CNCC=C1C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C13H15NO2/c1-2-12-13(16-8-7-15-12)9-11(1)10-3-5-14-6-4-10/h1-3,9,14H,4-8H2
InChIKey
MSKDFDIPRSVKEO-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.9
[M+Na]+ 240.09950 152.0
[M-H]- 216.10300 151.9
[M+NH4]+ 235.14410 161.1
[M+K]+ 256.07344 150.4
[M+H-H2O]+ 200.10754 138.8
[M+HCOO]- 262.10848 161.4
[M+CH3COO]- 276.12413 157.9
[M+Na-2H]- 238.08495 154.8
[M]+ 217.10973 141.8
[M]- 217.11083 141.8
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