CID 58817608

1417556-35-4

Structural Information

Molecular Formula
C6H9BrO2
SMILES
COC(=O)[C@@H]1C[C@H]1CBr
InChI
InChI=1S/C6H9BrO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
AGOMZUJFFMCWFQ-CRCLSJGQSA-N
Compound name
cis-methyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

191.97859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.985866 134.0
[M+Na]+ 214.967808 147.5
[M-H]- 190.971314 141.6
[M+NH4]+ 210.012413 152.8
[M+K]+ 230.941748 137.1
[M+H-H2O]+ 174.975850 133.9
[M+HCOO]- 236.976791 155.3
[M+CH3COO]- 250.992441 184.0
[M+Na-2H]- 212.953256 140.7
[M]+ 191.97804142 155.6
[M]- 191.97913858 155.6
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