CID 3064319

2-methyl-1-(1-naphthylmethyl)piperidine

Structural Information

Molecular Formula
C17H21N
SMILES
CC1CCCCN1CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H21N/c1-14-7-4-5-12-18(14)13-16-10-6-9-15-8-2-3-11-17(15)16/h2-3,6,8-11,14H,4-5,7,12-13H2,1H3
InChIKey
KPBRVOJRBOWAJF-UHFFFAOYSA-N
Compound name
2-methyl-1-(naphthalen-1-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.174676 156.9
[M+Na]+ 262.156618 162.3
[M-H]- 238.160124 161.9
[M+NH4]+ 257.201223 173.8
[M+K]+ 278.130558 157.3
[M+H-H2O]+ 222.164660 148.0
[M+HCOO]- 284.165601 174.3
[M+CH3COO]- 298.181251 167.7
[M+Na-2H]- 260.142066 161.9
[M]+ 239.16685142 152.5
[M]- 239.16794858 152.5
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.