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

35
Patents

251.1077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.114976 156.5
[M+Na]+ 274.096918 163.1
[M-H]- 250.100424 162.6
[M+NH4]+ 269.141523 176.1
[M+K]+ 290.070858 158.1
[M+H-H2O]+ 234.104960 150.6
[M+HCOO]- 296.105901 173.5
[M+CH3COO]- 310.121551 194.6
[M+Na-2H]- 272.082366 161.1
[M]+ 251.10715142 154.5
[M]- 251.10824858 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.