CID 19762855

1-bromo-2-methylpropan-2-yl acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

193.99425 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 134.0
[M+Na]+ 216.98347 135.0
[M+NH4]+ 212.02807 138.0
[M+K]+ 232.95741 136.8
[M-H]- 192.98697 131.4
[M+Na-2H]- 214.96892 134.8
[M]+ 193.99370 132.1
[M]- 193.99480 132.1
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