CID 45351

1-naphthyloxyethylethyl-beta-chloroethylamine hydrochloride

Structural Information

Molecular Formula
C16H20ClNO
SMILES
CCN(CCOC1=CC=CC2=CC=CC=C21)CCCl
InChI
InChI=1S/C16H20ClNO/c1-2-18(11-10-17)12-13-19-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3
InChIKey
SVGYUPDVUCVJHF-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-naphthalen-1-yloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12335 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13063 164.4
[M+Na]+ 300.11257 171.2
[M-H]- 276.11607 169.3
[M+NH4]+ 295.15717 182.8
[M+K]+ 316.08651 166.6
[M+H-H2O]+ 260.12061 157.5
[M+HCOO]- 322.12155 183.6
[M+CH3COO]- 336.13720 204.9
[M+Na-2H]- 298.09802 170.3
[M]+ 277.12280 170.0
[M]- 277.12390 170.0
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

No patent data available for this compound.