CID 45882

1-naphthylamine, 1,2,3,4-tetrahydro-5-butoxy-8-chloro-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C16H24ClNO
SMILES
CCCCOC1=C2CCCC(C2=C(C=C1)Cl)N(C)C
InChI
InChI=1S/C16H24ClNO/c1-4-5-11-19-15-10-9-13(17)16-12(15)7-6-8-14(16)18(2)3/h9-10,14H,4-8,11H2,1-3H3
InChIKey
NIXQARSUYVOYOW-UHFFFAOYSA-N
Compound name
5-butoxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.15463 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16191 164.9
[M+Na]+ 304.14385 178.1
[M+NH4]+ 299.18845 174.7
[M+K]+ 320.11779 169.3
[M-H]- 280.14735 169.2
[M+Na-2H]- 302.12930 170.6
[M]+ 281.15408 168.4
[M]- 281.15518 168.4
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.