CID 3056665

1,2-dehydro tramadol

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

CN(C)CC1=C(CCCC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-9,11H,4-5,7,10,12H2,1-3H3

InChIKey

FBIKAGZLTPYSQW-UHFFFAOYSA-N

Compound name

1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 245.17796 Da
Monoisotopic Mass: 3.0
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]+	246.185236	158.7
[M+Na]+	268.167178	163.5
[M-H]-	244.170684	166.0
[M+NH4]+	263.211783	176.4
[M+K]+	284.141118	161.4
[M+H-H2O]+	228.175220	150.7
[M+HCOO]-	290.176161	181.3
[M+CH3COO]-	304.191811	201.3
[M+Na-2H]-	266.152626	161.8
[M]+	245.17741142	158.3
[M]-	245.17850858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe