CID 76082623

2-(bromomethyl)-1-methoxy-2-methylbutane

Structural Information

Molecular Formula
C7H15BrO
SMILES
CCC(C)(COC)CBr
InChI
InChI=1S/C7H15BrO/c1-4-7(2,5-8)6-9-3/h4-6H2,1-3H3
InChIKey
HZBMFWOWJMRVMH-UHFFFAOYSA-N
Compound name
1-bromo-2-(methoxymethyl)-2-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03790 138.1
[M+Na]+ 217.01984 149.0
[M-H]- 193.02334 141.3
[M+NH4]+ 212.06444 161.5
[M+K]+ 232.99378 139.4
[M+H-H2O]+ 177.02788 139.4
[M+HCOO]- 239.02882 157.9
[M+CH3COO]- 253.04447 183.2
[M+Na-2H]- 215.00529 146.2
[M]+ 194.03007 159.0
[M]- 194.03117 159.0
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.