CID 132989542

Deschloro-n-ethyl-ketamine

Structural Information

Molecular Formula
C14H19NO
SMILES
CCNC1(CCCCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-2-15-14(11-7-6-10-13(14)16)12-8-4-3-5-9-12/h3-5,8-9,15H,2,6-7,10-11H2,1H3
InChIKey
IDLSBAANXISGEI-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

22
Patents

217.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.1
[M+Na]+ 240.13589 154.9
[M-H]- 216.13939 156.0
[M+NH4]+ 235.18049 169.8
[M+K]+ 256.10983 151.8
[M+H-H2O]+ 200.14393 143.1
[M+HCOO]- 262.14487 171.6
[M+CH3COO]- 276.16052 189.7
[M+Na-2H]- 238.12134 155.8
[M]+ 217.14612 145.5
[M]- 217.14722 145.5
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.