CID 6448206

1-methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl hexanoate

Structural Information

Molecular Formula
C19H26O4
SMILES
CCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C19H26O4/c1-4-5-7-12-18(20)22-15(2)16(3)23-19(21)14-13-17-10-8-6-9-11-17/h6,8-11,13-16H,4-5,7,12H2,1-3H3/b14-13+
InChIKey
BSBRAUYLEYBZFY-BUHFOSPRSA-N
Compound name
3-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1831 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 178.4
[M+Na]+ 341.17232 187.2
[M+NH4]+ 336.21692 183.3
[M+K]+ 357.14626 181.9
[M-H]- 317.17582 177.7
[M+Na-2H]- 339.15777 181.0
[M]+ 318.18255 179.1
[M]- 318.18365 179.1
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.