CID 245933

2-bromo-3-methoxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C6H11BrO3
SMILES
CC(C)(C(C(=O)O)Br)OC
InChI
InChI=1S/C6H11BrO3/c1-6(2,10-3)4(7)5(8)9/h4H,1-3H3,(H,8,9)
InChIKey
OJPAPXGHVASXJT-UHFFFAOYSA-N
Compound name
2-bromo-3-methoxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.98917 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99645 138.3
[M+Na]+ 232.97839 148.6
[M-H]- 208.98189 140.2
[M+NH4]+ 228.02299 159.9
[M+K]+ 248.95233 139.4
[M+H-H2O]+ 192.98643 139.4
[M+HCOO]- 254.98737 155.5
[M+CH3COO]- 269.00302 182.2
[M+Na-2H]- 230.96384 144.0
[M]+ 209.98862 157.7
[M]- 209.98972 157.7
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