CID 44256561

11-docosenyl acetate

Structural Information

Molecular Formula
C24H46O2
SMILES
CCCCCCCCCC/C=C/CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C24H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h12-13H,3-11,14-23H2,1-2H3/b13-12+
InChIKey
NIEJCCYMORIFCX-OUKQBFOZSA-N
Compound name
[(E)-docos-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.3498 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.35708 204.4
[M+Na]+ 389.33902 204.6
[M-H]- 365.34252 201.4
[M+NH4]+ 384.38362 217.1
[M+K]+ 405.31296 199.9
[M+H-H2O]+ 349.34706 196.6
[M+HCOO]- 411.34800 222.1
[M+CH3COO]- 425.36365 222.8
[M+Na-2H]- 387.32447 200.6
[M]+ 366.34925 213.2
[M]- 366.35035 213.2
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