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 163.5
[M+Na]+ 383.99328 171.6
[M-H]- 359.99678 170.2
[M+NH4]+ 379.03788 180.9
[M+K]+ 399.96722 155.6
[M+H-H2O]+ 344.00132 169.7
[M+HCOO]- 406.00226 179.6
[M+CH3COO]- 420.01791 218.4
[M+Na-2H]- 381.97873 168.3
[M]+ 361.00351 199.0
[M]- 361.00461 199.0
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.