CID 134816997

Garciosine c

Structural Information

Molecular Formula
C17H18O3
SMILES
CC(C)([C@H]1CC2=C(C=C(C=C2O1)C3=CC=CC=C3)O)O
InChI
InChI=1S/C17H18O3/c1-17(2,19)16-10-13-14(18)8-12(9-15(13)20-16)11-6-4-3-5-7-11/h3-9,16,18-19H,10H2,1-2H3/t16-/m1/s1
InChIKey
WQDRGVUFWOCYNM-MRXNPFEDSA-N
Compound name
(2R)-2-(2-hydroxypropan-2-yl)-6-phenyl-2,3-dihydro-1-benzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.12558 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.132856 161.6
[M+Na]+ 293.114798 169.5
[M-H]- 269.118304 167.8
[M+NH4]+ 288.159403 178.5
[M+K]+ 309.088738 166.1
[M+H-H2O]+ 253.122840 156.1
[M+HCOO]- 315.123781 179.3
[M+CH3COO]- 329.139431 194.0
[M+Na-2H]- 291.100246 166.4
[M]+ 270.12503142 161.9
[M]- 270.12612858 161.9
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

No patent data available for this compound.