CID 38563

Benzylamine, o-bromo-n-(5-bromopentyl)-n-ethyl-, oxalate

Structural Information

Molecular Formula
C14H21Br2N
SMILES
CCN(CCCCCBr)CC1=CC=CC=C1Br
InChI
InChI=1S/C14H21Br2N/c1-2-17(11-7-3-6-10-15)12-13-8-4-5-9-14(13)16/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKey
ASCYQZBFFPIZCM-UHFFFAOYSA-N
Compound name
5-bromo-N-[(2-bromophenyl)methyl]-N-ethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.00406 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.01134 164.8
[M+Na]+ 383.99328 159.4
[M+NH4]+ 379.03788 166.8
[M+K]+ 399.96722 164.2
[M-H]- 359.99678 166.3
[M+Na-2H]- 381.97873 166.0
[M]+ 361.00351 163.4
[M]- 361.00461 163.4
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.