CID 59135

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

Structural Information

Molecular Formula
C14H16IN
SMILES
CN(CCI)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16IN/c1-16(10-9-15)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3
InChIKey
SYCKBBYMITZMEY-UHFFFAOYSA-N
Compound name
2-iodo-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.03275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.04003 157.4
[M+Na]+ 348.02197 156.8
[M-H]- 324.02547 155.3
[M+NH4]+ 343.06657 172.2
[M+K]+ 363.99591 159.8
[M+H-H2O]+ 308.03001 146.6
[M+HCOO]- 370.03095 176.1
[M+CH3COO]- 384.04660 203.7
[M+Na-2H]- 346.00742 152.4
[M]+ 325.03220 155.9
[M]- 325.03330 155.9
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.