CID 73232471

3-hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide

Structural Information

Molecular Formula
C13H20O3
SMILES
CC1CC2C(CC=C1CCO)C(C(=O)O2)C
InChI
InChI=1S/C13H20O3/c1-8-7-12-11(9(2)13(15)16-12)4-3-10(8)5-6-14/h3,8-9,11-12,14H,4-7H2,1-2H3
InChIKey
MOXJTUNOIGNZKZ-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 149.7
[M+Na]+ 247.13047 157.9
[M+NH4]+ 242.17507 156.8
[M+K]+ 263.10441 156.0
[M-H]- 223.13397 151.4
[M+Na-2H]- 245.11592 151.0
[M]+ 224.14070 151.2
[M]- 224.14180 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.