CID 130654619

1-bromo-4-methoxy-4-methylpentane

Structural Information

Molecular Formula
C7H15BrO
SMILES
CC(C)(CCCBr)OC
InChI
InChI=1S/C7H15BrO/c1-7(2,9-3)5-4-6-8/h4-6H2,1-3H3
InChIKey
MKHZXXCTUDSWGH-UHFFFAOYSA-N
Compound name
1-bromo-4-methoxy-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.037896 138.1
[M+Na]+ 217.019838 149.0
[M-H]- 193.023344 141.3
[M+NH4]+ 212.064443 161.5
[M+K]+ 232.993778 139.4
[M+H-H2O]+ 177.027880 139.4
[M+HCOO]- 239.028821 157.9
[M+CH3COO]- 253.044471 183.2
[M+Na-2H]- 215.005286 146.2
[M]+ 194.03007142 159.0
[M]- 194.03116858 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.