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]+ 217.02226 134.7
[M+Na]+ 239.00420 146.8
[M-H]- 215.00770 138.5
[M+NH4]+ 234.04880 155.0
[M+K]+ 254.97814 135.7
[M+H-H2O]+ 199.01224 130.0
[M+HCOO]- 261.01318 149.6
[M+CH3COO]- 275.02883 190.8
[M+Na-2H]- 236.98965 142.6
[M]+ 216.01443 144.6
[M]- 216.01553 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.