CID 15390035

161841-12-9

Structural Information

Molecular Formula
C15H20O4
SMILES
C=CC(=O)OCCCCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C15H20O4/c1-2-15(17)19-12-6-4-3-5-11-18-14-9-7-13(16)8-10-14/h2,7-10,16H,1,3-6,11-12H2
InChIKey
VWDSGKYABCFREO-UHFFFAOYSA-N
Compound name
6-(4-hydroxyphenoxy)hexyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

264.13617 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 162.0
[M+Na]+ 287.125388 167.5
[M-H]- 263.128894 163.5
[M+NH4]+ 282.169993 177.8
[M+K]+ 303.099328 164.6
[M+H-H2O]+ 247.133430 155.1
[M+HCOO]- 309.134371 183.3
[M+CH3COO]- 323.150021 194.5
[M+Na-2H]- 285.110836 164.6
[M]+ 264.13562142 166.2
[M]- 264.13671858 166.2
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