CID 4620598

14464-31-4

Structural Information

Molecular Formula
C20H35NO4
SMILES
CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23/h2-17H2,1H3
InChIKey
OTNHQVHEZCBZQU-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

572
Patents

353.25662 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.26390 191.3
[M+Na]+ 376.24584 194.0
[M-H]- 352.24934 191.3
[M+NH4]+ 371.29044 204.7
[M+K]+ 392.21978 190.7
[M+H-H2O]+ 336.25388 183.3
[M+HCOO]- 398.25482 209.1
[M+CH3COO]- 412.27047 215.6
[M+Na-2H]- 374.23129 187.1
[M]+ 353.25607 197.3
[M]- 353.25717 197.3
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

No patent data available for this compound.