CID 10378937

Dihydroparadol

Structural Information

Molecular Formula
C17H28O3
SMILES
CCCCCCCC(CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C17H28O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,15,18-19H,3-9,11H2,1-2H3
InChIKey
DFOMASIWHAPFEW-UHFFFAOYSA-N
Compound name
4-(3-hydroxydecyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

280.20386 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.21114 170.9
[M+Na]+ 303.19308 175.4
[M-H]- 279.19658 170.8
[M+NH4]+ 298.23768 185.8
[M+K]+ 319.16702 171.9
[M+H-H2O]+ 263.20112 164.2
[M+HCOO]- 325.20206 189.3
[M+CH3COO]- 339.21771 199.4
[M+Na-2H]- 301.17853 171.1
[M]+ 280.20331 174.4
[M]- 280.20441 174.4
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