CID 137965605

Methyl 2-bromo-2-(oxan-4-ylidene)acetate

Structural Information

Molecular Formula
C8H11BrO3
SMILES
COC(=O)C(=C1CCOCC1)Br
InChI
InChI=1S/C8H11BrO3/c1-11-8(10)7(9)6-2-4-12-5-3-6/h2-5H2,1H3
InChIKey
KZQYTFHFPACUIB-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(oxan-4-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98917 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99645 140.6
[M+Na]+ 256.97839 141.3
[M+NH4]+ 252.02299 144.6
[M+K]+ 272.95233 143.2
[M-H]- 232.98189 140.8
[M+Na-2H]- 254.96384 141.4
[M]+ 233.98862 139.3
[M]- 233.98972 139.3
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.