CID 165793466

4-(1-bromopropan-2-yl)oxane

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC(CBr)C1CCOCC1
InChI
InChI=1S/C8H15BrO/c1-7(6-9)8-2-4-10-5-3-8/h7-8H,2-6H2,1H3
InChIKey
YORCFYZTMUWEEJ-UHFFFAOYSA-N
Compound name
4-(1-bromopropan-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037896 142.1
[M+Na]+ 229.019838 150.0
[M-H]- 205.023344 147.9
[M+NH4]+ 224.064443 163.1
[M+K]+ 244.993778 141.7
[M+H-H2O]+ 189.027880 142.5
[M+HCOO]- 251.028821 158.7
[M+CH3COO]- 265.044471 182.8
[M+Na-2H]- 227.005286 148.3
[M]+ 206.03007142 157.5
[M]- 206.03116858 157.5
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.