CID 54105945

6-hydroxy-4-oxohexanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
C(CC(=O)O)C(=O)CCO
InChI
InChI=1S/C6H10O4/c7-4-3-5(8)1-2-6(9)10/h7H,1-4H2,(H,9,10)
InChIKey
NDTOOPBXVZHXDG-UHFFFAOYSA-N
Compound name
6-hydroxy-4-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

146.0579 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 130.1
[M+Na]+ 169.04712 138.1
[M+NH4]+ 164.09172 135.7
[M+K]+ 185.02106 135.3
[M-H]- 145.05062 126.6
[M+Na-2H]- 167.03257 131.2
[M]+ 146.05735 129.7
[M]- 146.05845 129.7
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