CID 135396843

Ethyl 2-bromo-2-(oxetan-3-yl)acetate

Structural Information

Molecular Formula
C7H11BrO3
SMILES
CCOC(=O)C(C1COC1)Br
InChI
InChI=1S/C7H11BrO3/c1-2-11-7(9)6(8)5-3-10-4-5/h5-6H,2-4H2,1H3
InChIKey
AFVMJQQIHJFTSQ-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2-(oxetan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98917 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99645 132.6
[M+Na]+ 244.97839 140.6
[M-H]- 220.98189 138.9
[M+NH4]+ 240.02299 146.9
[M+K]+ 260.95233 136.3
[M+H-H2O]+ 204.98643 128.1
[M+HCOO]- 266.98737 150.2
[M+CH3COO]- 281.00302 187.8
[M+Na-2H]- 242.96384 139.0
[M]+ 221.98862 160.0
[M]- 221.98972 160.0
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.