CID 20275665

2-bromo-2,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C6H11BrO2
SMILES
CC(C)C(C)(C(=O)O)Br
InChI
InChI=1S/C6H11BrO2/c1-4(2)6(3,7)5(8)9/h4H,1-3H3,(H,8,9)
InChIKey
LGRZFBRXALOYRJ-UHFFFAOYSA-N
Compound name
2-bromo-2,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

193.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 133.6
[M+Na]+ 216.98347 133.9
[M+NH4]+ 212.02807 137.2
[M+K]+ 232.95741 136.7
[M-H]- 192.98697 130.4
[M+Na-2H]- 214.96892 133.6
[M]+ 193.99370 131.3
[M]- 193.99480 131.3
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