CID 130582466

2-(bromomethyl)-5-cyclopropyloxolane

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CC1C2CCC(O2)CBr
InChI
InChI=1S/C8H13BrO/c9-5-7-3-4-8(10-7)6-1-2-6/h6-8H,1-5H2
InChIKey
IGQMQDHXHDDNLT-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-cyclopropyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 140.4
[M+Na]+ 227.004198 152.6
[M-H]- 203.007704 150.7
[M+NH4]+ 222.048803 159.0
[M+K]+ 242.978138 143.4
[M+H-H2O]+ 187.012240 140.4
[M+HCOO]- 249.013181 160.2
[M+CH3COO]- 263.028831 184.7
[M+Na-2H]- 224.989646 146.5
[M]+ 204.01443142 159.1
[M]- 204.01552858 159.1
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.