CID 10286159

Erteberel

Structural Information

Molecular Formula
C18H18O3
SMILES
C1C[C@H]2[C@@H](C1)C3=C(C=CC(=C3)O)O[C@H]2C4=CC=C(C=C4)O
InChI
InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
InChIKey
XIESSJVMWNJCGZ-VKJFTORMSA-N
Compound name
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

152
Patents

282.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 162.8
[M+Na]+ 305.11480 170.0
[M-H]- 281.11830 169.3
[M+NH4]+ 300.15940 179.9
[M+K]+ 321.08874 165.6
[M+H-H2O]+ 265.12284 156.4
[M+HCOO]- 327.12378 178.4
[M+CH3COO]- 341.13943 174.0
[M+Na-2H]- 303.10025 166.1
[M]+ 282.12503 160.1
[M]- 282.12613 160.1
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