CID 130582466

1866103-72-1

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]+ 205.02226 140.4
[M+Na]+ 227.00420 152.6
[M-H]- 203.00770 150.7
[M+NH4]+ 222.04880 159.0
[M+K]+ 242.97814 143.4
[M+H-H2O]+ 187.01224 140.4
[M+HCOO]- 249.01318 160.2
[M+CH3COO]- 263.02883 184.7
[M+Na-2H]- 224.98965 146.5
[M]+ 204.01443 159.1
[M]- 204.01553 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.