CID 89504167

(2r,6r)-hydroxynorketamine

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1C[C@H](C(=O)[C@@](C1)(C2=CC=CC=C2Cl)N)O
InChI
InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1
InChIKey
CFBVGSWSOJBYGC-ZYHUDNBSSA-N
Compound name
(2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

59
References

678
Patents

239.0713 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 151.2
[M+Na]+ 262.06052 159.2
[M-H]- 238.06402 156.2
[M+NH4]+ 257.10512 170.6
[M+K]+ 278.03446 154.0
[M+H-H2O]+ 222.06856 146.3
[M+HCOO]- 284.06950 167.0
[M+CH3COO]- 298.08515 188.8
[M+Na-2H]- 260.04597 154.8
[M]+ 239.07075 147.6
[M]- 239.07185 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe