CID 59132091

2287287-20-9

Structural Information

Molecular Formula
C4H10BrNO
SMILES
C(COCCBr)N
InChI
InChI=1S/C4H10BrNO/c5-1-3-7-4-2-6/h1-4,6H2
InChIKey
JSLBYLGANLSEDO-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

166.99458 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.00186 127.7
[M+Na]+ 189.98380 138.2
[M-H]- 165.98730 130.2
[M+NH4]+ 185.02840 151.1
[M+K]+ 205.95774 128.3
[M+H-H2O]+ 149.99184 127.8
[M+HCOO]- 211.99278 150.0
[M+CH3COO]- 226.00843 178.1
[M+Na-2H]- 187.96925 135.8
[M]+ 166.99403 146.0
[M]- 166.99513 146.0
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

patents stripe