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]+ 193.02226 128.4
[M+Na]+ 215.00420 132.2
[M+NH4]+ 210.04880 134.1
[M+K]+ 230.97814 134.4
[M-H]- 191.00770 135.0
[M+Na-2H]- 212.98965 133.4
[M]+ 192.01443 130.7
[M]- 192.01553 130.7
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.