CID 3046214

61832-63-1

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H21NO2/c20-17-9-8-15(11-18(17)21)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,20-21H,4,7,10,12-13H2
InChIKey
YAFDJCKMSVRWAW-UHFFFAOYSA-N
Compound name
4-(1-benzylpiperidin-3-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.6
[M+Na]+ 306.146448 172.4
[M-H]- 282.149954 172.5
[M+NH4]+ 301.191053 180.1
[M+K]+ 322.120388 166.8
[M+H-H2O]+ 266.154490 158.4
[M+HCOO]- 328.155431 183.6
[M+CH3COO]- 342.171081 177.0
[M+Na-2H]- 304.131896 169.9
[M]+ 283.15668142 161.9
[M]- 283.15777858 161.9
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