CID 50844

(2-chloroethyl)ethylmethyl(naphthylmethyl)ammonium methyl sulfate

Structural Information

Molecular Formula
C16H21ClN
SMILES
CC[N+](C)(CCCl)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H21ClN/c1-3-18(2,12-11-17)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-13H2,1-2H3/q+1
InChIKey
CGOIYQHTZBDZQB-UHFFFAOYSA-N
Compound name
2-chloroethyl-ethyl-methyl-(naphthalen-1-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13626 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14354 161.0
[M+Na]+ 285.12548 168.2
[M-H]- 261.12898 166.2
[M+NH4]+ 280.17008 180.1
[M+K]+ 301.09942 157.6
[M+H-H2O]+ 245.13352 157.7
[M+HCOO]- 307.13446 178.9
[M+CH3COO]- 321.15011 196.2
[M+Na-2H]- 283.11093 170.8
[M]+ 262.13571 163.7
[M]- 262.13681 163.7
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.