CID 74934620

Ns00066525

Structural Information

Molecular Formula
C23H34O4
SMILES
CCCCCCCCCC=CCC(CC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C23H34O4/c1-2-3-4-5-6-7-8-9-10-14-17-21(23(25)26)18-22(24)27-19-20-15-12-11-13-16-20/h10-16,21H,2-9,17-19H2,1H3,(H,25,26)
InChIKey
DTZCEDKZDHFJOH-UHFFFAOYSA-N
Compound name
2-(2-oxo-2-phenylmethoxyethyl)tetradec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2457 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.252976 198.6
[M+Na]+ 397.234918 199.5
[M-H]- 373.238424 198.3
[M+NH4]+ 392.279523 209.4
[M+K]+ 413.208858 195.1
[M+H-H2O]+ 357.242960 190.2
[M+HCOO]- 419.243901 215.4
[M+CH3COO]- 433.259551 217.3
[M+Na-2H]- 395.220366 195.1
[M]+ 374.24515142 203.2
[M]- 374.24624858 203.2
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

No patent data available for this compound.