CID 34259

Benzylbis(2-bromoethyl)amine hydrobromide

Structural Information

Molecular Formula
C11H15Br2N
SMILES
C1=CC=C(C=C1)CN(CCBr)CCBr
InChI
InChI=1S/C11H15Br2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
NOCFCCNGOFVBDJ-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromo-N-(2-bromoethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

318.95712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.96440 151.6
[M+Na]+ 341.94634 160.1
[M-H]- 317.94984 158.6
[M+NH4]+ 336.99094 170.1
[M+K]+ 357.92028 144.8
[M+H-H2O]+ 301.95438 158.3
[M+HCOO]- 363.95532 168.6
[M+CH3COO]- 377.97097 210.8
[M+Na-2H]- 339.93179 158.4
[M]+ 318.95657 186.2
[M]- 318.95767 186.2
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

patents stripe