CID 137951517

Methyl 2-(bromomethyl)oxolane-2-carboxylate

Structural Information

Molecular Formula
C7H11BrO3
SMILES
COC(=O)C1(CCCO1)CBr
InChI
InChI=1S/C7H11BrO3/c1-10-6(9)7(5-8)3-2-4-11-7/h2-5H2,1H3
InChIKey
UQBVHFQQKXZWSF-UHFFFAOYSA-N
Compound name
methyl 2-(bromomethyl)oxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98917 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99645 144.7
[M+Na]+ 244.97839 144.8
[M+NH4]+ 240.02299 150.0
[M+K]+ 260.95233 146.3
[M-H]- 220.98189 144.6
[M+Na-2H]- 242.96384 146.0
[M]+ 221.98862 143.4
[M]- 221.98972 143.4
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.