CID 381518

Nsc668274

Structural Information

Molecular Formula
C18H24O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(COC(C)C)O)C
InChI
InChI=1S/C18H24O5/c1-10(2)21-8-14(19)9-22-16-7-6-15-11(3)12(4)18(20)23-17(15)13(16)5/h6-7,10,14,19H,8-9H2,1-5H3
InChIKey
QQIWFPNIFSWKLZ-UHFFFAOYSA-N
Compound name
7-(2-hydroxy-3-propan-2-yloxypropoxy)-3,4,8-trimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.16238 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16966 174.3
[M+Na]+ 343.15160 182.7
[M-H]- 319.15510 178.7
[M+NH4]+ 338.19620 188.5
[M+K]+ 359.12554 181.7
[M+H-H2O]+ 303.15964 167.5
[M+HCOO]- 365.16058 192.3
[M+CH3COO]- 379.17623 210.9
[M+Na-2H]- 341.13705 175.5
[M]+ 320.16183 182.2
[M]- 320.16293 182.2
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.