CID 228837

Methyl 2-bromo-3-methylbutanoate

Structural Information

Molecular Formula
C6H11BrO2
SMILES
CC(C)C(C(=O)OC)Br
InChI
InChI=1S/C6H11BrO2/c1-4(2)5(7)6(8)9-3/h4-5H,1-3H3
InChIKey
CKDTYRDFEIGXNO-UHFFFAOYSA-N
Compound name
methyl 2-bromo-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

193.99425 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 135.2
[M+Na]+ 216.98347 145.5
[M-H]- 192.98697 138.4
[M+NH4]+ 212.02807 158.1
[M+K]+ 232.95741 136.9
[M+H-H2O]+ 176.99151 135.9
[M+HCOO]- 238.99245 154.2
[M+CH3COO]- 253.00810 182.7
[M+Na-2H]- 214.96892 139.6
[M]+ 193.99370 154.8
[M]- 193.99480 154.8
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