CID 3019274

1-benzyl-4,4-dimethoxypiperidin-3-ol

Structural Information

Molecular Formula
C14H21NO3
SMILES
COC1(CCN(CC1O)CC2=CC=CC=C2)OC
InChI
InChI=1S/C14H21NO3/c1-17-14(18-2)8-9-15(11-13(14)16)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKey
ANEFKQJYRFOSON-UHFFFAOYSA-N
Compound name
1-benzyl-4,4-dimethoxypiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

251.15215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.159426 158.5
[M+Na]+ 274.141368 164.2
[M-H]- 250.144874 162.0
[M+NH4]+ 269.185973 175.4
[M+K]+ 290.115308 162.0
[M+H-H2O]+ 234.149410 150.9
[M+HCOO]- 296.150351 176.4
[M+CH3COO]- 310.166001 191.0
[M+Na-2H]- 272.126816 162.9
[M]+ 251.15160142 157.4
[M]- 251.15269858 157.4
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