CID 3056519

H 121

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCC(C1=CC(=C(C=C1)OC)OC)N2CCCCC2
InChI
InChI=1S/C16H25NO2/c1-4-14(17-10-6-5-7-11-17)13-8-9-15(18-2)16(12-13)19-3/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKey
QXBUZKWCIFTKJN-UHFFFAOYSA-N
Compound name
1-[1-(3,4-dimethoxyphenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.3
[M+Na]+ 286.17776 168.4
[M-H]- 262.18126 168.5
[M+NH4]+ 281.22236 179.4
[M+K]+ 302.15170 166.2
[M+H-H2O]+ 246.18580 155.7
[M+HCOO]- 308.18674 181.8
[M+CH3COO]- 322.20239 198.8
[M+Na-2H]- 284.16321 165.7
[M]+ 263.18799 163.3
[M]- 263.18909 163.3
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.