CID 58817608

Trans-methyl 2-(bromomethyl)cyclopropanecarboxylate

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
methyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

191.97859 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 124.3
[M+Na]+ 214.96781 127.8
[M+NH4]+ 210.01241 129.6
[M+K]+ 230.94175 130.3
[M-H]- 190.97131 129.6
[M+Na-2H]- 212.95326 129.1
[M]+ 191.97804 126.0
[M]- 191.97914 126.0
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