CID 91665163

6-(2-hydroxyethyl)-2,2-dimethyl-3h-chromen-4-one

Structural Information

Molecular Formula
C13H16O3
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)CCO)C
InChI
InChI=1S/C13H16O3/c1-13(2)8-11(15)10-7-9(5-6-14)3-4-12(10)16-13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKey
SFCUNKIVPDRXGX-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 146.8
[M+Na]+ 243.099158 155.6
[M-H]- 219.102664 151.0
[M+NH4]+ 238.143763 166.9
[M+K]+ 259.073098 153.8
[M+H-H2O]+ 203.107200 141.6
[M+HCOO]- 265.108141 165.5
[M+CH3COO]- 279.123791 187.3
[M+Na-2H]- 241.084606 153.8
[M]+ 220.10939142 148.1
[M]- 220.11048858 148.1
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.