CID 10228

Osthole

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
InChI
InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey
MBRLOUHOWLUMFF-UHFFFAOYSA-N
Compound name
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

548
References

4582
Patents

244.10994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 152.9
[M+Na]+ 267.09916 162.4
[M-H]- 243.10266 158.7
[M+NH4]+ 262.14376 170.8
[M+K]+ 283.07310 160.3
[M+H-H2O]+ 227.10720 146.5
[M+HCOO]- 289.10814 174.5
[M+CH3COO]- 303.12379 195.1
[M+Na-2H]- 265.08461 158.8
[M]+ 244.10939 157.8
[M]- 244.11049 157.8
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