CID 117760225

4-(bromomethyl)-2,2-dimethyloxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CC(CO1)CBr)C
InChI
InChI=1S/C7H13BrO/c1-7(2)3-6(4-8)5-9-7/h6H,3-5H2,1-2H3
InChIKey
PPGGASGEXWOMRA-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,2-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.01498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 135.7
[M+Na]+ 215.00420 147.1
[M-H]- 191.00770 142.6
[M+NH4]+ 210.04880 161.3
[M+K]+ 230.97814 138.7
[M+H-H2O]+ 175.01224 137.7
[M+HCOO]- 237.01318 155.7
[M+CH3COO]- 251.02883 179.6
[M+Na-2H]- 212.98965 143.1
[M]+ 192.01443 154.0
[M]- 192.01553 154.0
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

patents stripe