CID 44715

63867-84-5

Structural Information

Molecular Formula
C17H21NO
SMILES
C1CCN(CC1)CC(C2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H21NO/c19-17(13-18-11-4-1-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,19H,1,4-5,11-13H2
InChIKey
ISYJIORMUAFHNI-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 160.3
[M+Na]+ 278.15153 164.0
[M-H]- 254.15503 163.6
[M+NH4]+ 273.19613 175.4
[M+K]+ 294.12547 159.2
[M+H-H2O]+ 238.15957 151.6
[M+HCOO]- 300.16051 175.4
[M+CH3COO]- 314.17616 169.9
[M+Na-2H]- 276.13698 164.5
[M]+ 255.16176 154.5
[M]- 255.16286 154.5
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

No patent data available for this compound.