CID 6448211

2-((3-(4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl hexanoate

Structural Information

Molecular Formula
C20H28O5
SMILES
CCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C20H28O5/c1-5-6-7-8-19(21)24-15(2)16(3)25-20(22)14-11-17-9-12-18(23-4)13-10-17/h9-16H,5-8H2,1-4H3/b14-11+
InChIKey
GLSQCGGTAJTMTP-SDNWHVSQSA-N
Compound name
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxybutan-2-yl hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.19366 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20094 186.3
[M+Na]+ 371.18288 189.7
[M-H]- 347.18638 188.6
[M+NH4]+ 366.22748 199.2
[M+K]+ 387.15682 188.2
[M+H-H2O]+ 331.19092 178.6
[M+HCOO]- 393.19186 204.9
[M+CH3COO]- 407.20751 214.4
[M+Na-2H]- 369.16833 183.2
[M]+ 348.19311 193.0
[M]- 348.19421 193.0
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.