CID 6040

Piperoxan

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCN(CC1)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
InChIKey
LYKMMUBOEFYJQG-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

196
References

10885
Patents

233.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.7
[M+Na]+ 256.13081 156.7
[M-H]- 232.13431 158.5
[M+NH4]+ 251.17541 166.8
[M+K]+ 272.10475 155.9
[M+H-H2O]+ 216.13885 144.0
[M+HCOO]- 278.13979 166.9
[M+CH3COO]- 292.15544 163.3
[M+Na-2H]- 254.11626 159.4
[M]+ 233.14104 148.2
[M]- 233.14214 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe