CID 65814755

4-(bromomethyl)-4-ethyl-tetrahydro-2h-pyran

Structural Information

Molecular Formula
C8H15BrO
SMILES
CCC1(CCOCC1)CBr
InChI
InChI=1S/C8H15BrO/c1-2-8(7-9)3-5-10-6-4-8/h2-7H2,1H3
InChIKey
IOFJLSXFUGBEFL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-ethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 139.9
[M+Na]+ 229.01984 142.0
[M+NH4]+ 224.06444 146.7
[M+K]+ 244.99378 140.2
[M-H]- 205.02334 141.8
[M+Na-2H]- 227.00529 143.4
[M]+ 206.03007 139.7
[M]- 206.03117 139.7
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.