CID 141917

2-(bromomethyl)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CCOC(C1)CBr
InChI
InChI=1S/C6H11BrO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
InChIKey
MHNWCBOXPOLLIB-UHFFFAOYSA-N
Compound name
2-(bromomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1053
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 131.9
[M+Na]+ 200.98855 140.8
[M-H]- 176.99205 138.0
[M+NH4]+ 196.03315 154.0
[M+K]+ 216.96249 132.7
[M+H-H2O]+ 160.99659 132.7
[M+HCOO]- 222.99753 150.1
[M+CH3COO]- 237.01318 176.4
[M+Na-2H]- 198.97400 140.5
[M]+ 177.99878 147.2
[M]- 177.99988 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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