CID 57034021

2-bromo-2,4-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H13BrO2
SMILES
CC(C)CC(C)(C(=O)O)Br
InChI
InChI=1S/C7H13BrO2/c1-5(2)4-7(3,8)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKey
DUYIJJWSBHNLSD-UHFFFAOYSA-N
Compound name
2-bromo-2,4-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.00989 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 140.5
[M+Na]+ 230.999108 150.5
[M-H]- 207.002614 142.3
[M+NH4]+ 226.043713 162.3
[M+K]+ 246.973048 140.6
[M+H-H2O]+ 191.007150 141.6
[M+HCOO]- 253.008091 157.2
[M+CH3COO]- 267.023741 183.1
[M+Na-2H]- 228.984556 145.6
[M]+ 208.00934142 158.8
[M]- 208.01043858 158.8
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