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

4
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 135.7
[M+Na]+ 215.004198 147.1
[M-H]- 191.007704 142.6
[M+NH4]+ 210.048803 161.3
[M+K]+ 230.978138 138.7
[M+H-H2O]+ 175.012240 137.7
[M+HCOO]- 237.013181 155.7
[M+CH3COO]- 251.028831 179.6
[M+Na-2H]- 212.989646 143.1
[M]+ 192.01443142 154.0
[M]- 192.01552858 154.0
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