CID 56599474

Propenediester

Structural Information

Molecular Formula
C24H42O4
SMILES
CCCCCCCCCCCCCC(=C)CCCC(=O)O/C=C\COC(=O)C
InChI
InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(2)18-15-19-24(26)28-21-16-20-27-23(3)25/h16,21H,2,4-15,17-20H2,1,3H3/b21-16-
InChIKey
DNMGXMJBUOJKLE-PGMHBOJBSA-N
Compound name
[(Z)-3-acetyloxyprop-1-enyl] 5-methylideneoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

394.30832 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.31560 207.8
[M+Na]+ 417.29754 208.2
[M-H]- 393.30104 205.0
[M+NH4]+ 412.34214 211.7
[M+K]+ 433.27148 204.2
[M+H-H2O]+ 377.30558 200.1
[M+HCOO]- 439.30652 217.0
[M+CH3COO]- 453.32217 225.6
[M+Na-2H]- 415.28299 201.8
[M]+ 394.30777 216.7
[M]- 394.30887 216.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe