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

1
Patents

220.04628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053556 146.1
[M+Na]+ 243.035498 154.4
[M-H]- 219.039004 152.0
[M+NH4]+ 238.080103 166.8
[M+K]+ 259.009438 145.7
[M+H-H2O]+ 203.043540 146.9
[M+HCOO]- 265.044481 161.9
[M+CH3COO]- 279.060131 185.2
[M+Na-2H]- 241.020946 153.7
[M]+ 220.04573142 162.1
[M]- 220.04682858 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

patents stripe