CID 5460156

(5s,6s)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C7H10O4
SMILES
C1C=C(C(=O)[C@H]([C@@H]1CO)O)O
InChI
InChI=1S/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2/t4-,6-/m0/s1
InChIKey
JJEJEUFVVGEVHG-NJGYIYPDSA-N
Compound name
(5S,6S)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 129.8
[M+Na]+ 181.04712 137.6
[M-H]- 157.05062 129.8
[M+NH4]+ 176.09172 149.0
[M+K]+ 197.02106 135.4
[M+H-H2O]+ 141.05516 125.4
[M+HCOO]- 203.05610 148.6
[M+CH3COO]- 217.07175 169.2
[M+Na-2H]- 179.03257 133.6
[M]+ 158.05735 126.7
[M]- 158.05845 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.