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]+ 262.180156 163.2
[M+Na]+ 284.162098 168.2
[M-H]- 260.165604 169.4
[M+NH4]+ 279.206703 176.8
[M+K]+ 300.136038 167.0
[M+H-H2O]+ 244.170140 154.5
[M+HCOO]- 306.171081 176.6
[M+CH3COO]- 320.186731 173.6
[M+Na-2H]- 282.147546 167.3
[M]+ 261.17233142 160.2
[M]- 261.17342858 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.