CID 182622

3-(1,1-dimethylallyl)herniarin

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(C)(C=C)C1=CC2=C(C=C(C=C2)OC)OC1=O
InChI
InChI=1S/C15H16O3/c1-5-15(2,3)12-8-10-6-7-11(17-4)9-13(10)18-14(12)16/h5-9H,1H2,2-4H3
InChIKey
BTXKAWICQLJRID-UHFFFAOYSA-N
Compound name
7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 152.5
[M+Na]+ 267.09916 162.6
[M-H]- 243.10266 158.5
[M+NH4]+ 262.14376 170.5
[M+K]+ 283.07310 160.5
[M+H-H2O]+ 227.10720 146.6
[M+HCOO]- 289.10814 173.5
[M+CH3COO]- 303.12379 195.3
[M+Na-2H]- 265.08461 160.5
[M]+ 244.10939 157.6
[M]- 244.11049 157.6
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.