CID 542342

1-bromo-5-methoxypentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

180.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.022256 132.5
[M+Na]+ 203.004198 143.3
[M-H]- 179.007704 135.5
[M+NH4]+ 198.048803 156.3
[M+K]+ 218.978138 133.8
[M+H-H2O]+ 163.012240 133.4
[M+HCOO]- 225.013181 154.0
[M+CH3COO]- 239.028831 180.1
[M+Na-2H]- 200.989646 140.7
[M]+ 180.01443142 153.5
[M]- 180.01552858 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

No literature data available for this compound.

Patent stripe

patents stripe