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

1
Patents

191.97859 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 124.1
[M+Na]+ 214.96781 133.9
[M-H]- 190.97131 130.4
[M+NH4]+ 210.01241 141.2
[M+K]+ 230.94175 128.0
[M+H-H2O]+ 174.97585 120.3
[M+HCOO]- 236.97679 143.7
[M+CH3COO]- 250.99244 183.6
[M+Na-2H]- 212.95326 130.8
[M]+ 191.97804 150.2
[M]- 191.97914 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