CID 12613777

1-bromo-3-(propan-2-yloxy)propane

Structural Information

Molecular Formula
C6H13BrO
SMILES
CC(C)OCCCBr
InChI
InChI=1S/C6H13BrO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3
InChIKey
UDWJTIKGRKGQRF-UHFFFAOYSA-N
Compound name
1-bromo-3-propan-2-yloxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02226 132.3
[M+Na]+ 203.00420 134.0
[M+NH4]+ 198.04880 137.2
[M+K]+ 218.97814 134.3
[M-H]- 179.00770 131.0
[M+Na-2H]- 200.98965 133.7
[M]+ 180.01443 130.9
[M]- 180.01553 130.9
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