CID 94615

Arachidyl propionate

Structural Information

Molecular Formula
C23H46O2
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CC
InChI
InChI=1S/C23H46O2/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/h3-22H2,1-2H3
InChIKey
OPEHDFRKFVXKNP-UHFFFAOYSA-N
Compound name
icosyl propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2690
Patents

354.3498 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.35708 201.5
[M+Na]+ 377.33902 201.8
[M-H]- 353.34252 198.7
[M+NH4]+ 372.38362 214.7
[M+K]+ 393.31296 197.9
[M+H-H2O]+ 337.34706 193.8
[M+HCOO]- 399.34800 219.4
[M+CH3COO]- 413.36365 221.3
[M+Na-2H]- 375.32447 198.2
[M]+ 354.34925 210.8
[M]- 354.35035 210.8
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