CID 20534568

6-hydroxy-2,2-dimethylhexanoic acid

Structural Information

Molecular Formula
C8H16O3
SMILES
CC(C)(CCCCO)C(=O)O
InChI
InChI=1S/C8H16O3/c1-8(2,7(10)11)5-3-4-6-9/h9H,3-6H2,1-2H3,(H,10,11)
InChIKey
LFFFJLYLERLBBI-UHFFFAOYSA-N
Compound name
6-hydroxy-2,2-dimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

160.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.2
[M+Na]+ 183.09916 144.3
[M+NH4]+ 178.14376 142.2
[M+K]+ 199.07310 141.0
[M-H]- 159.10266 133.0
[M+Na-2H]- 181.08461 137.7
[M]+ 160.10939 136.1
[M]- 160.11049 136.1
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