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 129.4
[M+Na]+ 198.97289 139.3
[M-H]- 174.97639 135.9
[M+NH4]+ 194.01749 151.7
[M+K]+ 214.94683 131.0
[M+H-H2O]+ 158.98093 130.2
[M+HCOO]- 220.98187 149.0
[M+CH3COO]- 234.99752 176.0
[M+Na-2H]- 196.95834 139.0
[M]+ 175.98312 146.1
[M]- 175.98422 146.1
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.