CID 6444289

O-geranylvanillin

Structural Information

Molecular Formula
C18H24O3
SMILES
CC(=CCC/C(=C/COC1=C(C=C(C=C1)C=O)OC)/C)C
InChI
InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
SRLAFDUAEAXGBA-XNTDXEJSSA-N
Compound name
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

288.17255 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 170.1
[M+Na]+ 311.16177 176.0
[M-H]- 287.16527 173.1
[M+NH4]+ 306.20637 186.1
[M+K]+ 327.13571 172.7
[M+H-H2O]+ 271.16981 163.3
[M+HCOO]- 333.17075 191.0
[M+CH3COO]- 347.18640 204.6
[M+Na-2H]- 309.14722 169.8
[M]+ 288.17200 174.9
[M]- 288.17310 174.9
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