CID 58924

101831-65-6

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1CCCCN1C(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H19NO/c1-13-6-4-5-11-18(13)17(19)16-10-9-14-7-2-3-8-15(14)12-16/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKey
LRRKQSSNALLTQB-UHFFFAOYSA-N
Compound name
(2-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 159.4
[M+Na]+ 276.135888 164.8
[M-H]- 252.139394 164.6
[M+NH4]+ 271.180493 175.6
[M+K]+ 292.109828 160.3
[M+H-H2O]+ 236.143930 150.7
[M+HCOO]- 298.144871 176.2
[M+CH3COO]- 312.160521 170.1
[M+Na-2H]- 274.121336 163.3
[M]+ 253.14612142 155.1
[M]- 253.14721858 155.1
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.