CID 162078

Icosyl acrylate

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2/h4H,2-3,5-22H2,1H3
InChIKey
NGYRYRBDIPYKTL-UHFFFAOYSA-N
Compound name
icosyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2181
Patents

352.33414 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.34142 197.6
[M+Na]+ 375.32336 204.6
[M+NH4]+ 370.36796 202.4
[M+K]+ 391.29730 195.3
[M-H]- 351.32686 195.8
[M+Na-2H]- 373.30881 196.9
[M]+ 352.33359 197.8
[M]- 352.33469 197.8
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