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

111
Patents

180.01498 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe