CID 57483649

N-ethylnorketamine

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CCNC1(CCCCC1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H18ClNO/c1-2-16-14(10-6-5-9-13(14)17)11-7-3-4-8-12(11)15/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKey
ITBBBZIIFJJMDU-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-(ethylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

251.1077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 156.5
[M+Na]+ 274.09692 163.1
[M-H]- 250.10042 162.6
[M+NH4]+ 269.14152 176.1
[M+K]+ 290.07086 158.1
[M+H-H2O]+ 234.10496 150.6
[M+HCOO]- 296.10590 173.5
[M+CH3COO]- 310.12155 194.6
[M+Na-2H]- 272.08237 161.1
[M]+ 251.10715 154.5
[M]- 251.10825 154.5
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.