CID 574698

Methyl 1-bromocyclobutanecarboxylate

Structural Information

Molecular Formula
C6H9BrO2
SMILES
COC(=O)C1(CCC1)Br
InChI
InChI=1S/C6H9BrO2/c1-9-5(8)6(7)3-2-4-6/h2-4H2,1H3
InChIKey
KOKFKKDTWBKYTQ-UHFFFAOYSA-N
Compound name
methyl 1-bromocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

191.97859 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 133.0
[M+Na]+ 214.96781 130.7
[M+NH4]+ 210.01241 135.5
[M+K]+ 230.94175 132.0
[M-H]- 190.97131 130.0
[M+Na-2H]- 212.95326 134.1
[M]+ 191.97804 129.7
[M]- 191.97914 129.7
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