CID 381515

Nsc668271

Structural Information

Molecular Formula
C15H18O5
SMILES
CC(C)OCC(COC1=CC2=C(C=C1)C=CC(=O)O2)O
InChI
InChI=1S/C15H18O5/c1-10(2)18-8-12(16)9-19-13-5-3-11-4-6-15(17)20-14(11)7-13/h3-7,10,12,16H,8-9H2,1-2H3
InChIKey
XXDLEDNWEUOJFI-UHFFFAOYSA-N
Compound name
7-(2-hydroxy-3-propan-2-yloxypropoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 161.3
[M+Na]+ 301.10464 168.3
[M-H]- 277.10814 165.1
[M+NH4]+ 296.14924 176.3
[M+K]+ 317.07858 167.7
[M+H-H2O]+ 261.11268 154.3
[M+HCOO]- 323.11362 180.5
[M+CH3COO]- 337.12927 198.0
[M+Na-2H]- 299.09009 166.2
[M]+ 278.11487 166.9
[M]- 278.11597 166.9
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.