CID 184251

2-bromo-3,3-dimethylbutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2979
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 135.9
[M+Na]+ 216.98347 146.4
[M-H]- 192.98697 138.0
[M+NH4]+ 212.02807 158.3
[M+K]+ 232.95741 136.8
[M+H-H2O]+ 176.99151 137.3
[M+HCOO]- 238.99245 153.0
[M+CH3COO]- 253.00810 179.6
[M+Na-2H]- 214.96892 141.6
[M]+ 193.99370 153.9
[M]- 193.99480 153.9
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