CID 6474521

(+)-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-/m0/s1
InChIKey
GXJSAHXNLJFDPO-OFXNJDNMSA-N
Compound name
4-[(2S,3S)-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

13
References

13
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

patents stripe