CID 10999992

Conocarpan

Structural Information

Molecular Formula
C18H18O2
SMILES
C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
InChIKey
GXJSAHXNLJFDPO-CGBXWHSCSA-N
Compound name
4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

0
Patents

266.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 162.0
[M+Na]+ 289.11990 171.0
[M-H]- 265.12340 169.5
[M+NH4]+ 284.16450 180.0
[M+K]+ 305.09384 166.4
[M+H-H2O]+ 249.12794 155.8
[M+HCOO]- 311.12888 182.4
[M+CH3COO]- 325.14453 174.6
[M+Na-2H]- 287.10535 164.9
[M]+ 266.13013 163.1
[M]- 266.13123 163.1
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.