CID 12469194

Methyl 2-bromo-1-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CC1(CC1Br)C(=O)OC
InChI
InChI=1S/C6H9BrO2/c1-6(3-4(6)7)5(8)9-2/h4H,3H2,1-2H3
InChIKey
IQHRBUGQFSFNHZ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-1-methylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.97859 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 132.7
[M+Na]+ 214.967808 146.8
[M-H]- 190.971314 140.7
[M+NH4]+ 210.012413 153.4
[M+K]+ 230.941748 137.3
[M+H-H2O]+ 174.975850 134.1
[M+HCOO]- 236.976791 153.8
[M+CH3COO]- 250.992441 183.6
[M+Na-2H]- 212.953256 140.6
[M]+ 191.97804142 154.9
[M]- 191.97913858 154.9
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