CID 257724

3-(n-benzyl-n-methylaminomethyl)-2-norbornanone

Structural Information

Molecular Formula

C₁₆H₂₁NO

SMILES

CN(CC1C2CCC(C2)C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H21NO/c1-17(10-12-5-3-2-4-6-12)11-15-13-7-8-14(9-13)16(15)18/h2-6,13-15H,7-11H2,1H3

InChIKey

BWUZBNNHJQRYEW-UHFFFAOYSA-N

Compound name

3-[[benzyl(methyl)amino]methyl]bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 243.16231 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.169586	158.9
[M+Na]+	266.151528	164.4
[M-H]-	242.155034	165.9
[M+NH4]+	261.196133	181.7
[M+K]+	282.125468	161.4
[M+H-H2O]+	226.159570	152.7
[M+HCOO]-	288.160511	181.3
[M+CH3COO]-	302.176161	199.6
[M+Na-2H]-	264.136976	159.9
[M]+	243.16176142	158.6
[M]-	243.16285858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe