CID 118753542

5-hydroxyketamine

Structural Information

Molecular Formula

C₁₃H₁₆ClNO₂

SMILES

CNC1(CCC(CC1=O)O)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClNO2/c1-15-13(7-6-9(16)8-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3

InChIKey

GJRAGJDIUMHOLU-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-5-hydroxy-2-(methylamino)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.08696 Da
Monoisotopic Mass: 1.2
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]+	254.094236	154.8
[M+Na]+	276.076178	162.3
[M-H]-	252.079684	160.1
[M+NH4]+	271.120783	173.9
[M+K]+	292.050118	157.3
[M+H-H2O]+	236.084220	149.6
[M+HCOO]-	298.085161	170.9
[M+CH3COO]-	312.100811	192.4
[M+Na-2H]-	274.061626	159.0
[M]+	253.08641142	152.6
[M]-	253.08750858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe