CID 86099829

5-(bromomethyl)-3,6-dihydro-2h-pyran

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1COCC(=C1)CBr
InChI
InChI=1S/C6H9BrO/c7-4-6-2-1-3-8-5-6/h2H,1,3-5H2
InChIKey
OIQFFXBBENNDKD-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98367 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 128.1
[M+Na]+ 198.97289 131.3
[M+NH4]+ 194.01749 134.1
[M+K]+ 214.94683 131.2
[M-H]- 174.97639 130.3
[M+Na-2H]- 196.95834 131.7
[M]+ 175.98312 128.0
[M]- 175.98422 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.