CID 38541

Benzylamine, o-bromo-n-(3-chloropropyl)-n-ethyl-, hydrochloride

Structural Information

Molecular Formula
C12H17BrClN
SMILES
CCN(CCCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C12H17BrClN/c1-2-15(9-5-8-14)10-11-6-3-4-7-12(11)13/h3-4,6-7H,2,5,8-10H2,1H3
InChIKey
NPGLSTWRPDCKCG-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-3-chloro-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0233 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03058 157.4
[M+Na]+ 312.01252 161.3
[M+NH4]+ 307.05712 163.1
[M+K]+ 327.98646 158.9
[M-H]- 288.01602 159.4
[M+Na-2H]- 309.99797 161.5
[M]+ 289.02275 157.7
[M]- 289.02385 157.7
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.