CID 14609

1-naphthalenemethylamine, n-(2-chloroethyl)-n-ethyl-

Structural Information

Molecular Formula
C15H18ClN
SMILES
CCN(CCCl)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H18ClN/c1-2-17(11-10-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3
InChIKey
GUAYQYRFHZAEID-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-(naphthalen-1-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.11278 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12006 156.5
[M+Na]+ 270.10200 163.8
[M-H]- 246.10550 161.6
[M+NH4]+ 265.14660 176.2
[M+K]+ 286.07594 159.0
[M+H-H2O]+ 230.11004 150.1
[M+HCOO]- 292.11098 175.9
[M+CH3COO]- 306.12663 200.0
[M+Na-2H]- 268.08745 163.0
[M]+ 247.11223 160.3
[M]- 247.11333 160.3
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.