CID 23246261

Artemidiol

Structural Information

Molecular Formula
C13H14O4
SMILES
CCC(C(C1=CC2=CC=CC=C2C(=O)O1)O)O
InChI
InChI=1S/C13H14O4/c1-2-10(14)12(15)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,14-15H,2H2,1H3
InChIKey
CRXSSRPVDGICML-UHFFFAOYSA-N
Compound name
3-(1,2-dihydroxybutyl)isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 149.3
[M+Na]+ 257.078418 157.0
[M-H]- 233.081924 152.2
[M+NH4]+ 252.123023 165.6
[M+K]+ 273.052358 155.3
[M+H-H2O]+ 217.086460 143.4
[M+HCOO]- 279.087401 167.5
[M+CH3COO]- 293.103051 187.5
[M+Na-2H]- 255.063866 154.8
[M]+ 234.08865142 151.0
[M]- 234.08974858 151.0
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.