CID 44036

Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(p-chlorophenyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H20ClN
SMILES
CNCC1=C(C2CCC1CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN/c1-18-10-15-11-2-4-12(5-3-11)16(15)13-6-8-14(17)9-7-13/h6-9,11-12,18H,2-5,10H2,1H3
InChIKey
HKCDFZGWKLKGSI-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.12842 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.135696 159.4
[M+Na]+ 284.117638 164.7
[M-H]- 260.121144 159.2
[M+NH4]+ 279.162243 181.5
[M+K]+ 300.091578 158.9
[M+H-H2O]+ 244.125680 154.1
[M+HCOO]- 306.126621 168.7
[M+CH3COO]- 320.142271 169.3
[M+Na-2H]- 282.103086 168.8
[M]+ 261.12787142 162.0
[M]- 261.12896858 162.0
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

patents stripe