CID 46832155

Propylguaiacol-dimer

Structural Information

Molecular Formula
C20H24O4
SMILES
CCCC1=CC2=C(C(=C1)OC)O[C@@H]([C@H]2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C20H24O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h7-12,19,21H,5-6H2,1-4H3/t12-,19-/m0/s1
InChIKey
KXTZWNLTEJAHKW-BUXKBTBVSA-N
Compound name
2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

280
Patents

328.16745 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 178.4
[M+Na]+ 351.15667 187.4
[M-H]- 327.16017 186.1
[M+NH4]+ 346.20127 194.2
[M+K]+ 367.13061 184.5
[M+H-H2O]+ 311.16471 171.7
[M+HCOO]- 373.16565 198.1
[M+CH3COO]- 387.18130 210.8
[M+Na-2H]- 349.14212 179.0
[M]+ 328.16690 184.6
[M]- 328.16800 184.6
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

patents stripe