CID 67986286

1909294-95-6

Structural Information

Molecular Formula
C13H19NO
SMILES
C[C@@H]1C[C@@H](CN(C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m1/s1
InChIKey
ADFBVTAJGJLTTL-YPMHNXCESA-N
Compound name
(3S,5R)-1-benzyl-5-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

205.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.9
[M+Na]+ 228.13589 153.3
[M-H]- 204.13939 151.2
[M+NH4]+ 223.18049 164.9
[M+K]+ 244.10983 149.8
[M+H-H2O]+ 188.14393 140.4
[M+HCOO]- 250.14487 165.8
[M+CH3COO]- 264.16052 184.3
[M+Na-2H]- 226.12134 151.7
[M]+ 205.14612 143.2
[M]- 205.14722 143.2
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