CID 59130

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

Structural Information

Molecular Formula
C14H16ClN
SMILES
CN(CCCl)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H16ClN/c1-16(10-9-15)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3
InChIKey
AKXXWMXQMAFEIQ-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09712 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10440 151.7
[M+Na]+ 256.08634 159.5
[M-H]- 232.08984 157.0
[M+NH4]+ 251.13094 172.0
[M+K]+ 272.06028 154.9
[M+H-H2O]+ 216.09438 145.5
[M+HCOO]- 278.09532 171.5
[M+CH3COO]- 292.11097 197.0
[M+Na-2H]- 254.07179 158.8
[M]+ 233.09657 155.2
[M]- 233.09767 155.2
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.