CID 59134

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

Structural Information

Molecular Formula
C15H18IN
SMILES
CCN(CCI)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H18IN/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
HGUXZHVJYFLHBK-UHFFFAOYSA-N
Compound name
N-ethyl-2-iodo-N-(naphthalen-1-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0484 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05568 162.3
[M+Na]+ 362.03762 161.4
[M-H]- 338.04112 160.1
[M+NH4]+ 357.08222 176.6
[M+K]+ 378.01156 164.0
[M+H-H2O]+ 322.04566 151.3
[M+HCOO]- 384.04660 180.7
[M+CH3COO]- 398.06225 206.6
[M+Na-2H]- 360.02307 156.8
[M]+ 339.04785 161.2
[M]- 339.04895 161.2
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.