CID 115012995

3-bromo-3-methyloxolane

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC1(CCOC1)Br
InChI
InChI=1S/C5H9BrO/c1-5(6)2-3-7-4-5/h2-4H2,1H3
InChIKey
KVBUUXQGIFBEBQ-UHFFFAOYSA-N
Compound name
3-bromo-3-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 127.5
[M+Na]+ 186.97289 138.9
[M-H]- 162.97639 134.4
[M+NH4]+ 182.01749 153.9
[M+K]+ 202.94683 131.0
[M+H-H2O]+ 146.98093 129.7
[M+HCOO]- 208.98187 148.1
[M+CH3COO]- 222.99752 173.0
[M+Na-2H]- 184.95834 136.6
[M]+ 163.98312 144.8
[M]- 163.98422 144.8
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

No patent data available for this compound.