CID 44714

63867-82-3

Structural Information

Molecular Formula
C18H23NO2
SMILES
COC1=CC2=C(C=CC=C2C(CN3CCCCC3)O)C=C1
InChI
InChI=1S/C18H23NO2/c1-21-15-9-8-14-6-5-7-16(17(14)12-15)18(20)13-19-10-3-2-4-11-19/h5-9,12,18,20H,2-4,10-11,13H2,1H3
InChIKey
PDNXIBFHRKCBBM-UHFFFAOYSA-N
Compound name
1-(7-methoxynaphthalen-1-yl)-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.3
[M+Na]+ 308.16210 172.3
[M-H]- 284.16560 171.8
[M+NH4]+ 303.20670 182.4
[M+K]+ 324.13604 167.9
[M+H-H2O]+ 268.17014 159.4
[M+HCOO]- 330.17108 183.2
[M+CH3COO]- 344.18673 200.0
[M+Na-2H]- 306.14755 171.2
[M]+ 285.17233 164.7
[M]- 285.17343 164.7
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