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]+ 164.990946 127.5
[M+Na]+ 186.972888 138.9
[M-H]- 162.976394 134.4
[M+NH4]+ 182.017493 153.9
[M+K]+ 202.946828 131.0
[M+H-H2O]+ 146.980930 129.7
[M+HCOO]- 208.981871 148.1
[M+CH3COO]- 222.997521 173.0
[M+Na-2H]- 184.958336 136.6
[M]+ 163.98312142 144.8
[M]- 163.98421858 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.