CID 165474778

3-(1-bromo-2-methylpropan-2-yl)oxane

Structural Information

Molecular Formula
C9H17BrO
SMILES
CC(C)(CBr)C1CCCOC1
InChI
InChI=1S/C9H17BrO/c1-9(2,7-10)8-4-3-5-11-6-8/h8H,3-7H2,1-2H3
InChIKey
VNYUIFMFDNMDMZ-UHFFFAOYSA-N
Compound name
3-(1-bromo-2-methylpropan-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 146.1
[M+Na]+ 243.03550 154.4
[M-H]- 219.03900 152.0
[M+NH4]+ 238.08010 166.8
[M+K]+ 259.00944 145.7
[M+H-H2O]+ 203.04354 146.9
[M+HCOO]- 265.04448 161.9
[M+CH3COO]- 279.06013 185.2
[M+Na-2H]- 241.02095 153.7
[M]+ 220.04573 162.1
[M]- 220.04683 162.1
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.