CID 16122585

3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide

Structural Information

Molecular Formula
C16H28N2O3
SMILES
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O
InChI
InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKey
VEYZCVBECUYIJZ-AWEZNQCLSA-N
Compound name
3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

296.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.21728 176.0
[M+Na]+ 319.19922 178.0
[M-H]- 295.20272 175.0
[M+NH4]+ 314.24382 190.3
[M+K]+ 335.17316 174.7
[M+H-H2O]+ 279.20726 168.3
[M+HCOO]- 341.20820 193.4
[M+CH3COO]- 355.22385 203.9
[M+Na-2H]- 317.18467 173.1
[M]+ 296.20945 175.3
[M]- 296.21055 175.3
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