CID 6427573

1-bromo-4-ethoxybutane

Structural Information

Molecular Formula
C6H13BrO
SMILES
CCOCCCCBr
InChI
InChI=1S/C6H13BrO/c1-2-8-6-4-3-5-7/h2-6H2,1H3
InChIKey
AABRBNAXKRILNN-UHFFFAOYSA-N
Compound name
1-bromo-4-ethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

180.01498 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02226 133.4
[M+Na]+ 203.00420 135.3
[M+NH4]+ 198.04880 138.4
[M+K]+ 218.97814 134.8
[M-H]- 179.00770 132.3
[M+Na-2H]- 200.98965 135.0
[M]+ 180.01443 132.1
[M]- 180.01553 132.1
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