CID 11106551

5-(bromomethyl)-3,3-dimethyloxolan-2-one

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CC1(CC(OC1=O)CBr)C
InChI
InChI=1S/C7H11BrO2/c1-7(2)3-5(4-8)10-6(7)9/h5H,3-4H2,1-2H3
InChIKey
PJEJRIIYJKCKQX-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3,3-dimethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

205.99425 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 135.4
[M+Na]+ 228.983468 147.9
[M-H]- 204.986974 142.7
[M+NH4]+ 224.028073 160.7
[M+K]+ 244.957408 139.3
[M+H-H2O]+ 188.991510 137.7
[M+HCOO]- 250.992451 155.8
[M+CH3COO]- 265.008101 181.7
[M+Na-2H]- 226.968916 142.5
[M]+ 205.99370142 154.9
[M]- 205.99479858 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe