CID 15283107

1-benzyl-3-methylpiperidin-3-ol

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1(CCCN(C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO/c1-13(15)8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
InChIKey
XOOUIRSDEYKUGM-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

205.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.3
[M+Na]+ 228.135888 153.7
[M-H]- 204.139394 151.6
[M+NH4]+ 223.180493 167.0
[M+K]+ 244.109828 150.5
[M+H-H2O]+ 188.143930 141.1
[M+HCOO]- 250.144871 166.2
[M+CH3COO]- 264.160521 182.7
[M+Na-2H]- 226.121336 153.7
[M]+ 205.14612142 143.5
[M]- 205.14721858 143.5
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