CID 64671396

4-(3-bromo-2-methylpropyl)oxane

Structural Information

Molecular Formula
C9H17BrO
SMILES
CC(CC1CCOCC1)CBr
InChI
InChI=1S/C9H17BrO/c1-8(7-10)6-9-2-4-11-5-3-9/h8-9H,2-7H2,1H3
InChIKey
LSKNBOXENQKRGE-UHFFFAOYSA-N
Compound name
4-(3-bromo-2-methylpropyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.053556 146.8
[M+Na]+ 243.035498 154.2
[M-H]- 219.039004 152.4
[M+NH4]+ 238.080103 167.2
[M+K]+ 259.009438 145.7
[M+H-H2O]+ 203.043540 147.0
[M+HCOO]- 265.044481 163.0
[M+CH3COO]- 279.060131 185.6
[M+Na-2H]- 241.020946 152.5
[M]+ 220.04573142 162.5
[M]- 220.04682858 162.5
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.