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 137.8
[M+Na]+ 215.00420 150.5
[M-H]- 191.00770 145.7
[M+NH4]+ 210.04880 155.5
[M+K]+ 230.97814 141.4
[M+H-H2O]+ 175.01224 137.7
[M+HCOO]- 237.01318 157.1
[M+CH3COO]- 251.02883 184.8
[M+Na-2H]- 212.98965 147.2
[M]+ 192.01443 159.5
[M]- 192.01553 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.