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

7
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.6
[M+Na]+ 306.14645 172.4
[M-H]- 282.14995 172.5
[M+NH4]+ 301.19105 180.1
[M+K]+ 322.12039 166.8
[M+H-H2O]+ 266.15449 158.4
[M+HCOO]- 328.15543 183.6
[M+CH3COO]- 342.17108 177.0
[M+Na-2H]- 304.13190 169.9
[M]+ 283.15668 161.9
[M]- 283.15778 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