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 141.5
[M+Na]+ 244.97839 151.9
[M-H]- 220.98189 148.0
[M+NH4]+ 240.02299 165.5
[M+K]+ 260.95233 144.2
[M+H-H2O]+ 204.98643 143.1
[M+HCOO]- 266.98737 161.1
[M+CH3COO]- 281.00302 181.6
[M+Na-2H]- 242.96384 148.4
[M]+ 221.98862 160.9
[M]- 221.98972 160.9
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.