CID 138040377

2243501-38-2

Structural Information

Molecular Formula
C9H10O3
SMILES
C1COC2=C([C@H]1O)C=C(C=C2)O
InChI
InChI=1S/C9H10O3/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,10-11H,3-4H2/t8-/m0/s1
InChIKey
DEIXNYIUQLLDBS-QMMMGPOBSA-N
Compound name
(4S)-3,4-dihydro-2H-chromene-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 130.6
[M+Na]+ 189.05221 138.5
[M-H]- 165.05571 133.4
[M+NH4]+ 184.09681 149.9
[M+K]+ 205.02615 137.0
[M+H-H2O]+ 149.06025 125.6
[M+HCOO]- 211.06119 149.0
[M+CH3COO]- 225.07684 172.7
[M+Na-2H]- 187.03766 138.8
[M]+ 166.06244 128.6
[M]- 166.06354 128.6
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.