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

55
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 132.5
[M+Na]+ 203.00420 143.3
[M-H]- 179.00770 135.5
[M+NH4]+ 198.04880 156.3
[M+K]+ 218.97814 133.8
[M+H-H2O]+ 163.01224 133.4
[M+HCOO]- 225.01318 154.0
[M+CH3COO]- 239.02883 180.1
[M+Na-2H]- 200.98965 140.7
[M]+ 180.01443 153.5
[M]- 180.01553 153.5
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