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

2
Patents

208.04628 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05356 143.0
[M+Na]+ 231.03550 153.5
[M-H]- 207.03900 146.0
[M+NH4]+ 226.08010 165.9
[M+K]+ 247.00944 143.7
[M+H-H2O]+ 191.04354 144.0
[M+HCOO]- 253.04448 162.4
[M+CH3COO]- 267.06013 185.4
[M+Na-2H]- 229.02095 150.5
[M]+ 208.04573 164.1
[M]- 208.04683 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