CID 123767

Norketamine

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CCC(C(=O)C1)(C2=CC=CC=C2Cl)N
InChI
InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2
InChIKey
BEQZHFIKTBVCAU-UHFFFAOYSA-N
Compound name
2-amino-2-(2-chlorophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

242
References

837
Patents

223.07639 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 148.3
[M+Na]+ 246.06561 155.8
[M-H]- 222.06911 154.2
[M+NH4]+ 241.11021 168.8
[M+K]+ 262.03955 150.9
[M+H-H2O]+ 206.07365 142.8
[M+HCOO]- 268.07459 165.4
[M+CH3COO]- 282.09024 188.0
[M+Na-2H]- 244.05106 152.9
[M]+ 223.07584 144.6
[M]- 223.07694 144.6
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

No patent data available for this compound.