CID 155978355

2624137-42-2

Structural Information

Molecular Formula
C8H13BrO
SMILES
CC12CC(C1)C(CO2)CBr
InChI
InChI=1S/C8H13BrO/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7H,2-5H2,1H3
InChIKey
HZZLWHLCJASWDP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methyl-2-oxabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 137.0
[M+Na]+ 227.004198 146.0
[M-H]- 203.007704 140.0
[M+NH4]+ 222.048803 158.3
[M+K]+ 242.978138 140.8
[M+H-H2O]+ 187.012240 135.4
[M+HCOO]- 249.013181 148.9
[M+CH3COO]- 263.028831 150.9
[M+Na-2H]- 224.989646 150.1
[M]+ 204.01443142 165.6
[M]- 204.01552858 165.6
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.