CID 131752566

Ar-artemisene

Structural Information

Molecular Formula
C20H30
SMILES
CC1=CC=C(C=C1)C(C)CCCC(=C)C/C=C/C(C)C
InChI
InChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h6,8,12-16,19H,3,7,9-11H2,1-2,4-5H3/b8-6+
InChIKey
KVCMFLFVCBKBMA-SOFGYWHQSA-N
Compound name
1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.23474 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.24202 172.3
[M+Na]+ 293.22396 183.5
[M+NH4]+ 288.26856 179.9
[M+K]+ 309.19790 175.2
[M-H]- 269.22746 174.3
[M+Na-2H]- 291.20941 176.7
[M]+ 270.23419 174.4
[M]- 270.23529 174.4
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

No patent data available for this compound.