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 171.4
[M+Na]+ 293.22396 175.1
[M-H]- 269.22746 173.7
[M+NH4]+ 288.26856 187.9
[M+K]+ 309.19790 170.6
[M+H-H2O]+ 253.23200 164.6
[M+HCOO]- 315.23294 189.7
[M+CH3COO]- 329.24859 205.9
[M+Na-2H]- 291.20941 169.4
[M]+ 270.23419 172.4
[M]- 270.23529 172.4
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.