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

22
Patents

146.0579 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 129.5
[M+Na]+ 169.047118 135.9
[M-H]- 145.050624 127.0
[M+NH4]+ 164.091723 149.3
[M+K]+ 185.021058 135.4
[M+H-H2O]+ 129.055160 125.1
[M+HCOO]- 191.056101 149.6
[M+CH3COO]- 205.071751 169.8
[M+Na-2H]- 167.032566 133.0
[M]+ 146.05735142 130.0
[M]- 146.05844858 130.0
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