CID 67034646

5-(bromomethyl)-2,2-dimethyloxolane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC1(CCC(O1)CBr)C
InChI
InChI=1S/C7H13BrO/c1-7(2)4-3-6(5-8)9-7/h6H,3-5H2,1-2H3
InChIKey
HYAZGHDCDWKRBD-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2,2-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

192.01498 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe