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
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 134.0
[M+Na]+ 214.96781 147.5
[M-H]- 190.97131 141.6
[M+NH4]+ 210.01241 152.8
[M+K]+ 230.94175 137.1
[M+H-H2O]+ 174.97585 133.9
[M+HCOO]- 236.97679 155.3
[M+CH3COO]- 250.99244 184.0
[M+Na-2H]- 212.95326 140.7
[M]+ 191.97804 155.6
[M]- 191.97914 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