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

196
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 134.7
[M+Na]+ 216.98347 145.9
[M-H]- 192.98697 138.1
[M+NH4]+ 212.02807 157.9
[M+K]+ 232.95741 136.9
[M+H-H2O]+ 176.99151 136.0
[M+HCOO]- 238.99245 154.2
[M+CH3COO]- 253.00810 181.4
[M+Na-2H]- 214.96892 142.2
[M]+ 193.99370 155.2
[M]- 193.99480 155.2
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