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]+ 271.242016 171.4
[M+Na]+ 293.223958 175.1
[M-H]- 269.227464 173.7
[M+NH4]+ 288.268563 187.9
[M+K]+ 309.197898 170.6
[M+H-H2O]+ 253.232000 164.6
[M+HCOO]- 315.232941 189.7
[M+CH3COO]- 329.248591 205.9
[M+Na-2H]- 291.209406 169.4
[M]+ 270.23419142 172.4
[M]- 270.23528858 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.