CID 20289362

2-bromocyclobutyl acetate

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CC(=O)OC1CCC1Br
InChI
InChI=1S/C6H9BrO2/c1-4(8)9-6-3-2-5(6)7/h5-6H,2-3H2,1H3
InChIKey
NJWFQAGXUFLHDF-UHFFFAOYSA-N
Compound name
(2-bromocyclobutyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.97859 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 124.1
[M+Na]+ 214.967808 133.9
[M-H]- 190.971314 130.4
[M+NH4]+ 210.012413 141.2
[M+K]+ 230.941748 128.0
[M+H-H2O]+ 174.975850 120.3
[M+HCOO]- 236.976791 143.7
[M+CH3COO]- 250.992441 183.6
[M+Na-2H]- 212.953256 130.8
[M]+ 191.97804142 150.2
[M]- 191.97913858 150.2
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

patents stripe