CID 14582298

2-(3-bromo-2,2-dimethylpropyl)oxirane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC(C)(CC1CO1)CBr
InChI
InChI=1S/C7H13BrO/c1-7(2,5-8)3-6-4-9-6/h6H,3-5H2,1-2H3
InChIKey
MLDWKEOYLOCNDH-UHFFFAOYSA-N
Compound name
2-(3-bromo-2,2-dimethylpropyl)oxirane
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]+ 193.022256 137.8
[M+Na]+ 215.004198 150.5
[M-H]- 191.007704 145.7
[M+NH4]+ 210.048803 155.5
[M+K]+ 230.978138 141.4
[M+H-H2O]+ 175.012240 137.7
[M+HCOO]- 237.013181 157.1
[M+CH3COO]- 251.028831 184.8
[M+Na-2H]- 212.989646 147.2
[M]+ 192.01443142 159.5
[M]- 192.01552858 159.5
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.