CID 10442584

2-(bromomethyl)-4,4-dimethyloxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CC(OC1)CBr)C
InChI
InChI=1S/C7H13BrO/c1-7(2)3-6(4-8)9-5-7/h6H,3-5H2,1-2H3
InChIKey
KFSUONHJRUOOLF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4,4-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 139.3
[M+Na]+ 215.00420 140.9
[M+NH4]+ 210.04880 146.0
[M+K]+ 230.97814 141.0
[M-H]- 191.00770 140.6
[M+Na-2H]- 212.98965 141.7
[M]+ 192.01443 138.8
[M]- 192.01553 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.