CID 96143

1-(1-naphthylmethyl)piperidine

Structural Information

Molecular Formula
C16H19N
SMILES
C1CCN(CC1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H19N/c1-4-11-17(12-5-1)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,1,4-5,11-13H2
InChIKey
LDGDDRDPNUGELX-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

225.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 152.1
[M+Na]+ 248.14097 157.0
[M-H]- 224.14447 156.9
[M+NH4]+ 243.18557 169.3
[M+K]+ 264.11491 152.2
[M+H-H2O]+ 208.14901 143.2
[M+HCOO]- 270.14995 169.9
[M+CH3COO]- 284.16560 163.0
[M+Na-2H]- 246.12642 158.4
[M]+ 225.15120 146.9
[M]- 225.15230 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe