CID 219526

2,2-diethylbutanoic acid

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC(CC)(CC)C(=O)O
InChI
InChI=1S/C8H16O2/c1-4-8(5-2,6-3)7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKey
GHXNRYVDXNZXID-UHFFFAOYSA-N
Compound name
2,2-diethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1867
Patents

144.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 133.0
[M+Na]+ 167.10426 142.1
[M+NH4]+ 162.14886 140.0
[M+K]+ 183.07820 138.0
[M-H]- 143.10776 130.9
[M+Na-2H]- 165.08971 135.5
[M]+ 144.11449 133.5
[M]- 144.11559 133.5
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