CID 130688916

4-(bromomethyl)-4-(prop-2-en-1-yl)oxane

Structural Information

Molecular Formula
C9H15BrO
SMILES
C=CCC1(CCOCC1)CBr
InChI
InChI=1S/C9H15BrO/c1-2-3-9(8-10)4-6-11-7-5-9/h2H,1,3-8H2
InChIKey
BWZXJVLPGVASOO-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-prop-2-enyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03790 142.1
[M+Na]+ 241.01984 150.9
[M-H]- 217.02334 148.1
[M+NH4]+ 236.06444 164.5
[M+K]+ 256.99378 141.7
[M+H-H2O]+ 201.02788 143.3
[M+HCOO]- 263.02882 159.5
[M+CH3COO]- 277.04447 183.6
[M+Na-2H]- 239.00529 150.3
[M]+ 218.03007 158.2
[M]- 218.03117 158.2
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.