CID 145915772

2402789-93-7

Structural Information

Molecular Formula
C7H11BrO3
SMILES
COC(=O)[C@@H]1CC[C@@H](O1)CBr
InChI
InChI=1S/C7H11BrO3/c1-10-7(9)6-3-2-5(4-8)11-6/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
YSNKYZOFQQCVAD-RITPCOANSA-N
Compound name
methyl (2S,5R)-5-(bromomethyl)oxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98917 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99645 143.6
[M+Na]+ 244.97839 144.0
[M+NH4]+ 240.02299 147.6
[M+K]+ 260.95233 147.1
[M-H]- 220.98189 143.5
[M+Na-2H]- 242.96384 143.4
[M]+ 221.98862 142.2
[M]- 221.98972 142.2
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

No patent data available for this compound.