CID 66048549

3-(bromomethyl)-3-methyloxolane

Structural Information

Molecular Formula
C6H11BrO
SMILES
CC1(CCOC1)CBr
InChI
InChI=1S/C6H11BrO/c1-6(4-7)2-3-8-5-6/h2-5H2,1H3
InChIKey
XPQOXNXJHMCUCI-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 135.9
[M+Na]+ 200.98855 137.3
[M+NH4]+ 196.03315 142.7
[M+K]+ 216.96249 137.4
[M-H]- 176.99205 137.1
[M+Na-2H]- 198.97400 138.6
[M]+ 177.99878 135.3
[M]- 177.99988 135.3
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