CID 163067624

6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one

Structural Information

Molecular Formula
C13H18O4
SMILES
CCC1CCC2=C(C1O)C(=O)C(=CO2)COC
InChI
InChI=1S/C13H18O4/c1-3-8-4-5-10-11(12(8)14)13(15)9(6-16-2)7-17-10/h7-8,12,14H,3-6H2,1-2H3
InChIKey
WQNHLSNFCSLZQY-UHFFFAOYSA-N
Compound name
6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 150.5
[M+Na]+ 261.109728 159.0
[M-H]- 237.113234 154.7
[M+NH4]+ 256.154333 168.1
[M+K]+ 277.083668 157.6
[M+H-H2O]+ 221.117770 144.7
[M+HCOO]- 283.118711 169.3
[M+CH3COO]- 297.134361 191.3
[M+Na-2H]- 259.095176 155.7
[M]+ 238.11996142 153.3
[M]- 238.12105858 153.3
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.