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 155.2
[M+Na]+ 270.11007 158.7
[M-H]- 246.11357 159.7
[M+NH4]+ 265.15467 167.8
[M+K]+ 286.08401 157.5
[M+H-H2O]+ 230.11811 146.8
[M+HCOO]- 292.11905 167.3
[M+CH3COO]- 306.13470 165.0
[M+Na-2H]- 268.09552 160.4
[M]+ 247.12030 149.1
[M]- 247.12140 149.1
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