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

11
Patents

217.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 146.9
[M+Na]+ 240.099498 152.0
[M-H]- 216.103004 151.9
[M+NH4]+ 235.144103 161.1
[M+K]+ 256.073438 150.4
[M+H-H2O]+ 200.107540 138.8
[M+HCOO]- 262.108481 161.4
[M+CH3COO]- 276.124131 157.9
[M+Na-2H]- 238.084946 154.8
[M]+ 217.10973142 141.8
[M]- 217.11082858 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