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]+ 279.122696 161.3
[M+Na]+ 301.104638 168.3
[M-H]- 277.108144 165.1
[M+NH4]+ 296.149243 176.3
[M+K]+ 317.078578 167.7
[M+H-H2O]+ 261.112680 154.3
[M+HCOO]- 323.113621 180.5
[M+CH3COO]- 337.129271 198.0
[M+Na-2H]- 299.090086 166.2
[M]+ 278.11487142 166.9
[M]- 278.11596858 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.