CID 5187924

4-bromo-1,1,1-trimethoxybutane

Structural Information

Molecular Formula
C7H15BrO3
SMILES
COC(CCCBr)(OC)OC
InChI
InChI=1S/C7H15BrO3/c1-9-7(10-2,11-3)5-4-6-8/h4-6H2,1-3H3
InChIKey
QBLJMYITBNHQOT-UHFFFAOYSA-N
Compound name
4-bromo-1,1,1-trimethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

226.02046 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02774 144.0
[M+Na]+ 249.00968 144.6
[M+NH4]+ 244.05428 147.6
[M+K]+ 264.98362 145.8
[M-H]- 225.01318 141.3
[M+Na-2H]- 246.99513 144.3
[M]+ 226.01991 142.0
[M]- 226.02101 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe