CID 177798614

2995280-57-2

Structural Information

Molecular Formula
C8H13BrO
SMILES
COCC1(CC(=C)C1)CBr
InChI
InChI=1S/C8H13BrO/c1-7-3-8(4-7,5-9)6-10-2/h1,3-6H2,2H3
InChIKey
IRAULEMEHCYDOM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methoxymethyl)-3-methylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 128.6
[M+Na]+ 227.004198 138.9
[M-H]- 203.007704 135.0
[M+NH4]+ 222.048803 147.3
[M+K]+ 242.978138 131.6
[M+H-H2O]+ 187.012240 126.3
[M+HCOO]- 249.013181 148.4
[M+CH3COO]- 263.028831 186.7
[M+Na-2H]- 224.989646 136.7
[M]+ 204.01443142 155.3
[M]- 204.01552858 155.3
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.