CID 45353

63917-98-6

Structural Information

Molecular Formula
C16H20ClNO
SMILES
CCN(CCOC1=CC2=CC=CC=C2C=C1)CCCl
InChI
InChI=1S/C16H20ClNO/c1-2-18(10-9-17)11-12-19-16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,2,9-12H2,1H3
InChIKey
JCHHZQJIJHJYGB-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-naphthalen-2-yloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12335 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.130626 164.4
[M+Na]+ 300.112568 171.2
[M-H]- 276.116074 169.3
[M+NH4]+ 295.157173 182.8
[M+K]+ 316.086508 166.6
[M+H-H2O]+ 260.120610 157.5
[M+HCOO]- 322.121551 183.6
[M+CH3COO]- 336.137201 204.9
[M+Na-2H]- 298.098016 170.3
[M]+ 277.12280142 170.0
[M]- 277.12389858 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.