CID 131752881

1-methoxy-4-[6-methyl-4-(2-methyl-1-propenyl)-1,5,7-octatrienyl]benzene, 9ci

Structural Information

Molecular Formula
C20H26O
SMILES
CC(=CC(C/C=C\C1=CC=C(C=C1)OC)/C=C(/C)\C=C)C
InChI
InChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15-
InChIKey
FNNVIJKTAGXPFS-DMMNKWGDSA-N
Compound name
1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

282.19836 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20564 172.1
[M+Na]+ 305.18758 176.5
[M-H]- 281.19108 174.5
[M+NH4]+ 300.23218 188.1
[M+K]+ 321.16152 171.4
[M+H-H2O]+ 265.19562 165.4
[M+HCOO]- 327.19656 191.1
[M+CH3COO]- 341.21221 204.7
[M+Na-2H]- 303.17303 170.1
[M]+ 282.19781 172.9
[M]- 282.19891 172.9
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.