CID 16622

Eticyclidine

Structural Information

Molecular Formula
C14H21N
SMILES
CCNC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3
InChIKey
IFYLVUHLOOCYBG-UHFFFAOYSA-N
Compound name
N-ethyl-1-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

1254
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 150.1
[M+Na]+ 226.15662 162.3
[M+NH4]+ 221.20122 161.6
[M+K]+ 242.13056 151.7
[M-H]- 202.16012 156.0
[M+Na-2H]- 224.14207 160.3
[M]+ 203.16685 153.7
[M]- 203.16795 153.7
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