CID 5319406

7-[(2e)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one

Structural Information

Molecular Formula
C20H24O4
SMILES
CC(=CCC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1)OC)/C)C
InChI
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-19-13-17-16(12-18(19)22-4)8-9-20(21)24-17/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
NLNMITFNBJXRRP-XNTDXEJSSA-N
Compound name
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

328.16745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 178.8
[M+Na]+ 351.15667 185.9
[M-H]- 327.16017 183.6
[M+NH4]+ 346.20127 192.9
[M+K]+ 367.13061 183.2
[M+H-H2O]+ 311.16471 171.3
[M+HCOO]- 373.16565 198.0
[M+CH3COO]- 387.18130 211.7
[M+Na-2H]- 349.14212 180.7
[M]+ 328.16690 185.4
[M]- 328.16800 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe