CID 167714998

En300-39920409

Structural Information

Molecular Formula
C8H13BrO
SMILES
CCC12CC(C1)(OC2)CBr
InChI
InChI=1S/C8H13BrO/c1-2-7-3-8(4-7,5-9)10-6-7/h2-6H2,1H3
InChIKey
MQWCCXFYTQHFNA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-ethyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02226 138.9
[M+Na]+ 227.00420 149.9
[M-H]- 203.00770 144.0
[M+NH4]+ 222.04880 164.8
[M+K]+ 242.97814 143.7
[M+H-H2O]+ 187.01224 139.8
[M+HCOO]- 249.01318 155.3
[M+CH3COO]- 263.02883 154.3
[M+Na-2H]- 224.98965 150.1
[M]+ 204.01443 169.8
[M]- 204.01553 169.8
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.