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 143.3
[M+Na]+ 244.97839 153.7
[M-H]- 220.98189 149.8
[M+NH4]+ 240.02299 165.6
[M+K]+ 260.95233 145.7
[M+H-H2O]+ 204.98643 144.0
[M+HCOO]- 266.98737 162.8
[M+CH3COO]- 281.00302 183.1
[M+Na-2H]- 242.96384 148.2
[M]+ 221.98862 162.5
[M]- 221.98972 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.