CID 638110

69775-78-6

Structural Information

Molecular Formula
C8H17BrO
SMILES
CC(C)(C)OCCCCBr
InChI
InChI=1S/C8H17BrO/c1-8(2,3)10-7-5-4-6-9/h4-7H2,1-3H3
InChIKey
ZKUZDZQYIUIECM-UHFFFAOYSA-N
Compound name
1-bromo-4-[(2-methylpropan-2-yl)oxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.04628 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.053556 143.0
[M+Na]+ 231.035498 153.5
[M-H]- 207.039004 146.0
[M+NH4]+ 226.080103 165.9
[M+K]+ 247.009438 143.7
[M+H-H2O]+ 191.043540 144.0
[M+HCOO]- 253.044481 162.4
[M+CH3COO]- 267.060131 185.4
[M+Na-2H]- 229.020946 150.5
[M]+ 208.04573142 164.1
[M]- 208.04682858 164.1
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