CID 86115985

4-hydroxyketamine

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CNC1(CC(CCC1=O)O)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
InChIKey
RHZRNGQIDYHQPV-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

253.08696 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 154.8
[M+Na]+ 276.07618 162.3
[M-H]- 252.07968 160.1
[M+NH4]+ 271.12078 173.9
[M+K]+ 292.05012 157.3
[M+H-H2O]+ 236.08422 149.6
[M+HCOO]- 298.08516 170.9
[M+CH3COO]- 312.10081 192.4
[M+Na-2H]- 274.06163 159.0
[M]+ 253.08641 152.6
[M]- 253.08751 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe