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 146.9
[M+Na]+ 247.13047 152.5
[M-H]- 223.13397 151.8
[M+NH4]+ 242.17507 165.4
[M+K]+ 263.10441 154.3
[M+H-H2O]+ 207.13851 143.2
[M+HCOO]- 269.13945 164.2
[M+CH3COO]- 283.15510 190.6
[M+Na-2H]- 245.11592 148.6
[M]+ 224.14070 144.2
[M]- 224.14180 144.2
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.