CID 572766

Curzerene

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C
InChI
InChI=1S/C15H20O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h6,9,13H,1-2,7-8H2,3-5H3
InChIKey
HICAMHOOTMOHPA-UHFFFAOYSA-N
Compound name
6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

254
Patents

216.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 151.0
[M+Na]+ 239.14063 162.9
[M+NH4]+ 234.18523 161.4
[M+K]+ 255.11457 155.9
[M-H]- 215.14413 154.4
[M+Na-2H]- 237.12608 155.5
[M]+ 216.15086 153.8
[M]- 216.15196 153.8
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