CID 17973541

6-(4-((1e)-3-methoxy-3-oxo-1-propen-1-yl)phenoxy)hexyl 2-methyl-2-propenoate

Structural Information

Molecular Formula
C20H26O5
SMILES
CC(=C)C(=O)OCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)OC
InChI
InChI=1S/C20H26O5/c1-16(2)20(22)25-15-7-5-4-6-14-24-18-11-8-17(9-12-18)10-13-19(21)23-3/h8-13H,1,4-7,14-15H2,2-3H3/b13-10+
InChIKey
FZGJMEHLUVPSFU-JLHYYAGUSA-N
Compound name
6-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

346.178 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.185276 184.8
[M+Na]+ 369.167218 188.8
[M-H]- 345.170724 187.1
[M+NH4]+ 364.211823 197.8
[M+K]+ 385.141158 186.1
[M+H-H2O]+ 329.175260 177.1
[M+HCOO]- 391.176201 204.7
[M+CH3COO]- 405.191851 212.7
[M+Na-2H]- 367.152666 183.0
[M]+ 346.17745142 191.4
[M]- 346.17854858 191.4
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

patents stripe