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
1
Annotation Hits

8
References

29
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

literature stripe

Patent stripe

patents stripe