CID 127293

3-oxo-n-[(3s)-2-oxooxolan-3-yl]octanamide

Structural Information

Molecular Formula
C12H19NO4
SMILES
CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKey
FXCMGCFNLNFLSH-JTQLQIEISA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

512
Patents

241.13141 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 157.3
[M+Na]+ 264.12063 161.5
[M-H]- 240.12413 160.5
[M+NH4]+ 259.16523 174.6
[M+K]+ 280.09457 161.3
[M+H-H2O]+ 224.12867 151.1
[M+HCOO]- 286.12961 178.1
[M+CH3COO]- 300.14526 193.9
[M+Na-2H]- 262.10608 157.9
[M]+ 241.13086 158.5
[M]- 241.13196 158.5
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