CID 44256560

11z,14z,17z-eicosatrienyl acetate

Structural Information

Molecular Formula
C22H38O2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h4-5,7-8,10-11H,3,6,9,12-21H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey
ZTPDEIPEYUMKFD-YSTUJMKBSA-N
Compound name
[(11Z,14Z,17Z)-icosa-11,14,17-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.28717 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 192.4
[M+Na]+ 357.27639 194.2
[M-H]- 333.27989 190.0
[M+NH4]+ 352.32099 206.4
[M+K]+ 373.25033 188.8
[M+H-H2O]+ 317.28443 185.2
[M+HCOO]- 379.28537 211.3
[M+CH3COO]- 393.30102 213.9
[M+Na-2H]- 355.26184 189.8
[M]+ 334.28662 198.9
[M]- 334.28772 198.9
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