CID 11052767

3-[(3r,4r)-3,4-dimethylpiperidin-4-yl]phenol

Structural Information

Molecular Formula
C13H19NO
SMILES
C[C@H]1CNCC[C@@]1(C)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/t10-,13+/m0/s1
InChIKey
HXZDAOSDNCHKFE-GXFFZTMASA-N
Compound name
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

205.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.6
[M+Na]+ 228.135888 154.6
[M-H]- 204.139394 150.9
[M+NH4]+ 223.180493 166.9
[M+K]+ 244.109828 150.5
[M+H-H2O]+ 188.143930 142.0
[M+HCOO]- 250.144871 164.9
[M+CH3COO]- 264.160521 181.3
[M+Na-2H]- 226.121336 152.9
[M]+ 205.14612142 142.4
[M]- 205.14721858 142.4
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