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]+ 234.996446 144.7
[M+Na]+ 256.978388 152.8
[M-H]- 232.981894 150.6
[M+NH4]+ 252.022993 164.4
[M+K]+ 272.952328 144.6
[M+H-H2O]+ 216.986430 144.8
[M+HCOO]- 278.987371 161.1
[M+CH3COO]- 293.003021 184.5
[M+Na-2H]- 254.963836 149.8
[M]+ 233.98862142 160.7
[M]- 233.98971858 160.7
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.