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

17
Patents

193.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 135.8
[M+Na]+ 216.983468 146.2
[M-H]- 192.986974 137.8
[M+NH4]+ 212.028073 158.1
[M+K]+ 232.957408 136.6
[M+H-H2O]+ 176.991510 137.1
[M+HCOO]- 238.992451 152.8
[M+CH3COO]- 253.008101 180.3
[M+Na-2H]- 214.968916 141.4
[M]+ 193.99370142 153.8
[M]- 193.99479858 153.8
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