CID 6448208

84006-32-6

Structural Information

Molecular Formula
C23H34O4
SMILES
CCCCCCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C23H34O4/c1-4-5-6-7-8-9-13-16-22(24)26-19(2)20(3)27-23(25)18-17-21-14-11-10-12-15-21/h10-12,14-15,17-20H,4-9,13,16H2,1-3H3/b18-17+
InChIKey
NXXSHSNTDLCUKS-ISLYRVAYSA-N
Compound name
3-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2457 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.252976 198.6
[M+Na]+ 397.234918 199.9
[M-H]- 373.238424 199.9
[M+NH4]+ 392.279523 210.2
[M+K]+ 413.208858 196.9
[M+H-H2O]+ 357.242960 190.3
[M+HCOO]- 419.243901 216.0
[M+CH3COO]- 433.259551 219.9
[M+Na-2H]- 395.220366 194.4
[M]+ 374.24515142 204.5
[M]- 374.24624858 204.5
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.