CID 20370738

2,2-diethyl-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C8H16O3
SMILES
CCC(CC)(C(C)O)C(=O)O
InChI
InChI=1S/C8H16O3/c1-4-8(5-2,6(3)9)7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKey
QBWMLRYFMRETTG-UHFFFAOYSA-N
Compound name
2,2-diethyl-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.7
[M+Na]+ 183.09916 142.5
[M-H]- 159.10266 134.2
[M+NH4]+ 178.14376 156.2
[M+K]+ 199.07310 142.1
[M+H-H2O]+ 143.10720 132.9
[M+HCOO]- 205.10814 154.2
[M+CH3COO]- 219.12379 175.0
[M+Na-2H]- 181.08461 139.9
[M]+ 160.10939 136.7
[M]- 160.11049 136.7
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