CID 12783702

1-bromo-3-methoxy-3-methylbutan-2-one

Structural Information

Molecular Formula
C6H11BrO2
SMILES
CC(C)(C(=O)CBr)OC
InChI
InChI=1S/C6H11BrO2/c1-6(2,9-3)5(8)4-7/h4H2,1-3H3
InChIKey
RLEAJEINZQWXQO-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.99425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 134.5
[M+Na]+ 216.983468 145.7
[M-H]- 192.986974 137.9
[M+NH4]+ 212.028073 157.7
[M+K]+ 232.957408 136.6
[M+H-H2O]+ 176.991510 135.8
[M+HCOO]- 238.992451 154.0
[M+CH3COO]- 253.008101 182.0
[M+Na-2H]- 214.968916 142.0
[M]+ 193.99370142 155.1
[M]- 193.99479858 155.1
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