CID 16227513

4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine hydrate hydrochloride

Structural Information

Molecular Formula
C14H17NO3
SMILES
C1CNCCC1C(=O)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H17NO3/c16-14(10-3-5-15-6-4-10)11-1-2-12-13(9-11)18-8-7-17-12/h1-2,9-10,15H,3-8H2
InChIKey
DYUQTSPDXNGKOK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

247.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.8
[M+Na]+ 270.11007 168.7
[M+NH4]+ 265.15467 164.9
[M+K]+ 286.08401 163.0
[M-H]- 246.11357 162.5
[M+Na-2H]- 268.09552 161.2
[M]+ 247.12030 159.9
[M]- 247.12140 159.9
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