CID 378955

Nsc662479

Structural Information

Molecular Formula
C11H12O4
SMILES
C[C@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C
InChI
InChI=1S/C11H12O4/c1-5-6(2)15-9-4-7(12)3-8(13)10(9)11(5)14/h3-6,12-13H,1-2H3/t5-,6+/m0/s1
InChIKey
PWMYVWKBHAOUSW-NTSWFWBYSA-N
Compound name
(2R,3S)-5,7-dihydroxy-2,3-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 141.1
[M+Na]+ 231.06278 151.1
[M-H]- 207.06628 144.7
[M+NH4]+ 226.10738 159.5
[M+K]+ 247.03672 149.3
[M+H-H2O]+ 191.07082 136.2
[M+HCOO]- 253.07176 159.1
[M+CH3COO]- 267.08741 184.1
[M+Na-2H]- 229.04823 146.3
[M]+ 208.07301 141.8
[M]- 208.07411 141.8
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

No patent data available for this compound.