CID 90079766

Methyl 2-bromo-2-cyclopropylacetate

Structural Information

Molecular Formula
C6H9BrO2
SMILES
COC(=O)C(C1CC1)Br
InChI
InChI=1S/C6H9BrO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3H2,1H3
InChIKey
PNUIIPDSXRMQKT-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

191.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 134.8
[M+Na]+ 214.967808 147.2
[M-H]- 190.971314 142.1
[M+NH4]+ 210.012413 153.3
[M+K]+ 230.941748 137.3
[M+H-H2O]+ 174.975850 134.5
[M+HCOO]- 236.976791 155.3
[M+CH3COO]- 250.992441 183.7
[M+Na-2H]- 212.953256 140.9
[M]+ 191.97804142 155.5
[M]- 191.97913858 155.5
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