CID 10617107

Glyceocarpin

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=CC2=C(C=C1O)OC[C@@]3([C@H]2OC4=C3C=CC(=C4)O)O)C
InChI
InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1
InChIKey
TUXXPRXOVFCNPC-VQTJNVASSA-N
Compound name
(6aS,11aS)-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

13
Patents

340.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.0
[M+Na]+ 363.12029 187.6
[M-H]- 339.12379 183.0
[M+NH4]+ 358.16489 195.1
[M+K]+ 379.09423 184.3
[M+H-H2O]+ 323.12833 173.6
[M+HCOO]- 385.12927 190.4
[M+CH3COO]- 399.14492 189.2
[M+Na-2H]- 361.10574 182.7
[M]+ 340.13052 181.0
[M]- 340.13162 181.0
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