CID 5315433

Curzerenone

Structural Information

Molecular Formula
C15H18O2
SMILES
CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C
InChI
InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3
InChIKey
ZVMJXSJCBLRAPD-UHFFFAOYSA-N
Compound name
6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

201
Patents

230.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 152.8
[M+Na]+ 253.11990 164.5
[M+NH4]+ 248.16450 162.3
[M+K]+ 269.09384 158.2
[M-H]- 229.12340 155.4
[M+Na-2H]- 251.10535 156.5
[M]+ 230.13013 155.3
[M]- 230.13123 155.3
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