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]+ 222.996446 143.3
[M+Na]+ 244.978388 153.7
[M-H]- 220.981894 149.8
[M+NH4]+ 240.022993 165.6
[M+K]+ 260.952328 145.7
[M+H-H2O]+ 204.986430 144.0
[M+HCOO]- 266.987371 162.8
[M+CH3COO]- 281.003021 183.1
[M+Na-2H]- 242.963836 148.2
[M]+ 221.98862142 162.5
[M]- 221.98971858 162.5
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.