CID 120853

956-23-0

Structural Information

Molecular Formula
C12H16O5
SMILES
CCC(=O)C1=C(C=CC(=C1)OCC(CO)O)O
InChI
InChI=1S/C12H16O5/c1-2-11(15)10-5-9(3-4-12(10)16)17-7-8(14)6-13/h3-5,8,13-14,16H,2,6-7H2,1H3
InChIKey
AQXAMCMWSDKKIG-UHFFFAOYSA-N
Compound name
1-[5-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.09978 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 153.3
[M+Na]+ 263.08900 162.7
[M+NH4]+ 258.13360 158.5
[M+K]+ 279.06294 159.4
[M-H]- 239.09250 151.8
[M+Na-2H]- 261.07445 155.8
[M]+ 240.09923 153.8
[M]- 240.10033 153.8
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.