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

1
Patents

193.99425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 134.5
[M+Na]+ 216.98347 145.7
[M-H]- 192.98697 137.9
[M+NH4]+ 212.02807 157.7
[M+K]+ 232.95741 136.6
[M+H-H2O]+ 176.99151 135.8
[M+HCOO]- 238.99245 154.0
[M+CH3COO]- 253.00810 182.0
[M+Na-2H]- 214.96892 142.0
[M]+ 193.99370 155.1
[M]- 193.99480 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