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]+ 147.06518 129.5
[M+Na]+ 169.04712 135.9
[M-H]- 145.05062 127.0
[M+NH4]+ 164.09172 149.3
[M+K]+ 185.02106 135.4
[M+H-H2O]+ 129.05516 125.1
[M+HCOO]- 191.05610 149.6
[M+CH3COO]- 205.07175 169.8
[M+Na-2H]- 167.03257 133.0
[M]+ 146.05735 130.0
[M]- 146.05845 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