CID 131752882

Juvocimene 2

Structural Information

Molecular Formula
C20H26O2
SMILES
C/C(=C/C(C/C=C\C1=CC=C(C=C1)OC)C2C(O2)(C)C)/C=C
InChI
InChI=1S/C20H26O2/c1-6-15(2)14-17(19-20(3,4)22-19)9-7-8-16-10-12-18(21-5)13-11-16/h6-8,10-14,17,19H,1,9H2,2-5H3/b8-7-,15-14-
InChIKey
JVHUDTINIJAQHA-XWUSKMMESA-N
Compound name
3-[(1Z,5Z)-1-(4-methoxyphenyl)-6-methylocta-1,5,7-trien-4-yl]-2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

298.19327 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.200546 170.8
[M+Na]+ 321.182488 178.6
[M-H]- 297.185994 178.6
[M+NH4]+ 316.227093 182.5
[M+K]+ 337.156428 175.6
[M+H-H2O]+ 281.190530 164.4
[M+HCOO]- 343.191471 190.1
[M+CH3COO]- 357.207121 208.8
[M+Na-2H]- 319.167936 172.4
[M]+ 298.19272142 177.1
[M]- 298.19381858 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.