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

35
Patents

191.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 134.8
[M+Na]+ 214.96781 147.2
[M-H]- 190.97131 142.1
[M+NH4]+ 210.01241 153.3
[M+K]+ 230.94175 137.3
[M+H-H2O]+ 174.97585 134.5
[M+HCOO]- 236.97679 155.3
[M+CH3COO]- 250.99244 183.7
[M+Na-2H]- 212.95326 140.9
[M]+ 191.97804 155.5
[M]- 191.97914 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