CID 38555

Benzylamine, o-bromo-n-(4-chlorobutyl)-n-ethyl-, oxalate

Structural Information

Molecular Formula
C13H19BrClN
SMILES
CCN(CCCCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C13H19BrClN/c1-2-16(10-6-5-9-15)11-12-7-3-4-8-13(12)14/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKey
UCWXNXOGSOQGBV-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-4-chloro-N-ethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.03894 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04622 162.0
[M+Na]+ 326.02816 165.7
[M+NH4]+ 321.07276 167.5
[M+K]+ 342.00210 163.0
[M-H]- 302.03166 164.0
[M+Na-2H]- 324.01361 165.8
[M]+ 303.03839 162.2
[M]- 303.03949 162.2
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.