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]+ 299.20055 170.8
[M+Na]+ 321.18249 178.6
[M-H]- 297.18599 178.6
[M+NH4]+ 316.22709 182.5
[M+K]+ 337.15643 175.6
[M+H-H2O]+ 281.19053 164.4
[M+HCOO]- 343.19147 190.1
[M+CH3COO]- 357.20712 208.8
[M+Na-2H]- 319.16794 172.4
[M]+ 298.19272 177.1
[M]- 298.19382 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.