CID 7851

2-bromoethylamine

Structural Information

Molecular Formula
C2H6BrN
SMILES
C(CBr)N
InChI
InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
InChIKey
IZQAUUVBKYXMET-UHFFFAOYSA-N
Compound name
2-bromoethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

162
References

11753
Patents

122.96836 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.97564 116.0
[M+Na]+ 145.95758 127.4
[M-H]- 121.96108 119.0
[M+NH4]+ 141.00218 141.2
[M+K]+ 161.93152 117.7
[M+H-H2O]+ 105.96562 116.8
[M+HCOO]- 167.96656 138.7
[M+CH3COO]- 181.98221 170.6
[M+Na-2H]- 143.94303 125.3
[M]+ 122.96781 132.3
[M]- 122.96891 132.3
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