CID 132989542

Deschloro-n-ethyl-ketamine

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CCNC1(CCCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO/c1-2-15-14(11-7-6-10-13(14)16)12-8-4-3-5-9-12/h3-5,8-9,15H,2,6-7,10-11H2,1H3

InChIKey

IDLSBAANXISGEI-UHFFFAOYSA-N

Compound name

2-(ethylamino)-2-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 22
Patents: 217.14667 Da
Monoisotopic Mass: 2.3
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]+	218.153946	150.1
[M+Na]+	240.135888	154.9
[M-H]-	216.139394	156.0
[M+NH4]+	235.180493	169.8
[M+K]+	256.109828	151.8
[M+H-H2O]+	200.143930	143.1
[M+HCOO]-	262.144871	171.6
[M+CH3COO]-	276.160521	189.7
[M+Na-2H]-	238.121336	155.8
[M]+	217.14612142	145.5
[M]-	217.14721858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe