CID 74933850

Ns00062671

Structural Information

Molecular Formula
C30H48O5
SMILES
CCCCCCCCCCCCCCCC=CCC(CC(=O)OCCOC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C30H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-27(30(32)33)26-29(31)35-25-24-34-28-22-19-17-20-23-28/h16-20,22-23,27H,2-15,21,24-26H2,1H3,(H,32,33)
InChIKey
ZGESUOVNOUSXPE-UHFFFAOYSA-N
Compound name
2-[2-oxo-2-(2-phenoxyethoxy)ethyl]icos-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.3502 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.357476 232.0
[M+Na]+ 511.339418 229.6
[M-H]- 487.342924 230.1
[M+NH4]+ 506.384023 237.8
[M+K]+ 527.313358 224.4
[M+H-H2O]+ 471.347460 222.0
[M+HCOO]- 533.348401 246.5
[M+CH3COO]- 547.364051 239.5
[M+Na-2H]- 509.324866 225.0
[M]+ 488.34965142 240.5
[M]- 488.35074858 240.5
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.