CID 71361507

Methyl 3-bromocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C6H9BrO2
SMILES
COC(=O)C1CC(C1)Br
InChI
InChI=1S/C6H9BrO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3H2,1H3
InChIKey
PXUHGFNZFJXRFN-UHFFFAOYSA-N
Compound name
methyl 3-bromocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

191.97859 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 131.5
[M+Na]+ 214.96781 129.5
[M+NH4]+ 210.01241 132.8
[M+K]+ 230.94175 132.3
[M-H]- 190.97131 128.5
[M+Na-2H]- 212.95326 131.2
[M]+ 191.97804 128.0
[M]- 191.97914 128.0
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