CID 13042890

2-(bromomethyl)-2-methyloxolane

Structural Information

Molecular Formula
C6H11BrO
SMILES
CC1(CCCO1)CBr
InChI
InChI=1S/C6H11BrO/c1-6(5-7)3-2-4-8-6/h2-5H2,1H3
InChIKey
FCRGNIOWVNCUGM-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 132.2
[M+Na]+ 200.98855 143.1
[M-H]- 176.99205 138.9
[M+NH4]+ 196.03315 158.1
[M+K]+ 216.96249 135.0
[M+H-H2O]+ 160.99659 134.2
[M+HCOO]- 222.99753 152.5
[M+CH3COO]- 237.01318 175.8
[M+Na-2H]- 198.97400 140.7
[M]+ 177.99878 149.8
[M]- 177.99988 149.8
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.