CID 12314812

Pyrocurzerenone

Structural Information

Molecular Formula
C15H16O
SMILES
CC1=CC2=C(CC1)C(=CC3=C2C(=CO3)C)C
InChI
InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6-8H,4-5H2,1-3H3
InChIKey
JSWOSPDHAFLJHZ-UHFFFAOYSA-N
Compound name
1,5,8-trimethyl-6,7-dihydrobenzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 144.5
[M+Na]+ 235.10934 160.8
[M+NH4]+ 230.15394 155.6
[M+K]+ 251.08328 154.2
[M-H]- 211.11284 150.4
[M+Na-2H]- 233.09479 151.1
[M]+ 212.11957 148.8
[M]- 212.12067 148.8
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