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]+ 321.169656 174.3
[M+Na]+ 343.151598 182.7
[M-H]- 319.155104 178.7
[M+NH4]+ 338.196203 188.5
[M+K]+ 359.125538 181.7
[M+H-H2O]+ 303.159640 167.5
[M+HCOO]- 365.160581 192.3
[M+CH3COO]- 379.176231 210.9
[M+Na-2H]- 341.137046 175.5
[M]+ 320.16183142 182.2
[M]- 320.16292858 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.