CID 165999268

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

Structural Information

Molecular Formula
C9H13BrO
SMILES
C#CCC1(CCOCC1)CBr
InChI
InChI=1S/C9H13BrO/c1-2-3-9(8-10)4-6-11-7-5-9/h1H,3-8H2
InChIKey
OMJDDUISQDXTTL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-prop-2-ynyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.022256 134.7
[M+Na]+ 239.004198 146.8
[M-H]- 215.007704 138.5
[M+NH4]+ 234.048803 155.0
[M+K]+ 254.978138 135.7
[M+H-H2O]+ 199.012240 130.0
[M+HCOO]- 261.013181 149.6
[M+CH3COO]- 275.028831 190.8
[M+Na-2H]- 236.989646 142.6
[M]+ 216.01443142 144.6
[M]- 216.01552858 144.6
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.