CID 16205251

71617-12-4

Structural Information

Molecular Formula
C19H26O2
SMILES
CC(=CCCC(C)(C=C)OC(=O)CCC1=CC=CC=C1)C
InChI
InChI=1S/C19H26O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-12H,1,9,13-15H2,2-4H3
InChIKey
RBQBQDDJTGLLOK-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.19327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.200546 172.6
[M+Na]+ 309.182488 176.8
[M-H]- 285.185994 175.0
[M+NH4]+ 304.227093 188.3
[M+K]+ 325.156428 173.0
[M+H-H2O]+ 269.190530 166.0
[M+HCOO]- 331.191471 191.4
[M+CH3COO]- 345.207121 203.5
[M+Na-2H]- 307.167936 173.8
[M]+ 286.19272142 175.1
[M]- 286.19381858 175.1
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.