CID 24842530

Niosh/tm4480000

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1CCN(C(C1)C)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H23NO2/c1-12-7-8-17(13(2)9-12)10-14-11-18-15-5-3-4-6-16(15)19-14/h3-6,12-14H,7-11H2,1-2H3
InChIKey
WZDOZTUZULREIZ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-dimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.2
[M+Na]+ 284.16210 168.2
[M-H]- 260.16560 169.4
[M+NH4]+ 279.20670 176.8
[M+K]+ 300.13604 167.0
[M+H-H2O]+ 244.17014 154.5
[M+HCOO]- 306.17108 176.6
[M+CH3COO]- 320.18673 173.6
[M+Na-2H]- 282.14755 167.3
[M]+ 261.17233 160.2
[M]- 261.17343 160.2
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

No patent data available for this compound.