CID 6441377

5-geranoxy-7-methoxycoumarin

Structural Information

Molecular Formula
C20H24O4
SMILES
CC(=CCC/C(=C/COC1=CC(=CC2=C1C=CC(=O)O2)OC)/C)C
InChI
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
WXUOSNJWDJOHGW-XNTDXEJSSA-N
Compound name
5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

32
Patents

328.16745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.174726 178.8
[M+Na]+ 351.156668 185.9
[M-H]- 327.160174 183.6
[M+NH4]+ 346.201273 192.9
[M+K]+ 367.130608 183.2
[M+H-H2O]+ 311.164710 171.3
[M+HCOO]- 373.165651 198.0
[M+CH3COO]- 387.181301 211.7
[M+Na-2H]- 349.142116 180.7
[M]+ 328.16690142 185.4
[M]- 328.16799858 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