CID 20269

Ethanamine, 2-bromo-n-(2-bromoethyl)-n-methyl-

Structural Information

Molecular Formula
C5H11Br2N
SMILES
CN(CCBr)CCBr
InChI
InChI=1S/C5H11Br2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
InChIKey
WJZGRGFVSRMXQX-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-bromoethyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

242.92583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.93311 141.4
[M+Na]+ 265.91505 135.3
[M+NH4]+ 260.95965 143.5
[M+K]+ 281.88899 141.6
[M-H]- 241.91855 141.5
[M+Na-2H]- 263.90050 142.0
[M]+ 242.92528 139.3
[M]- 242.92638 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe