CID 165943025

2156552-69-9

Structural Information

Molecular Formula
C7H11BrO2
SMILES
COC1CC(C1)C(=O)CBr
InChI
InChI=1S/C7H11BrO2/c1-10-6-2-5(3-6)7(9)4-8/h5-6H,2-4H2,1H3
InChIKey
WLJUAMUUZJSRDO-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-methoxycyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99425 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 128.7
[M+Na]+ 228.98347 138.0
[M-H]- 204.98697 134.8
[M+NH4]+ 224.02807 145.2
[M+K]+ 244.95741 131.8
[M+H-H2O]+ 188.99151 124.7
[M+HCOO]- 250.99245 147.9
[M+CH3COO]- 265.00810 186.9
[M+Na-2H]- 226.96892 134.8
[M]+ 205.99370 155.2
[M]- 205.99480 155.2
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.