CID 6914579

N-(2-oxotetrahydrofuran-3-yl)octanamide

Structural Information

Molecular Formula
C12H21NO3
SMILES
CCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
JKEJEOJPJVRHMQ-JTQLQIEISA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

596
References

394
Patents

227.15215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 155.5
[M+Na]+ 250.141368 159.7
[M-H]- 226.144874 158.6
[M+NH4]+ 245.185973 173.6
[M+K]+ 266.115308 159.2
[M+H-H2O]+ 210.149410 149.3
[M+HCOO]- 272.150351 176.9
[M+CH3COO]- 286.166001 191.7
[M+Na-2H]- 248.126816 157.2
[M]+ 227.15160142 156.6
[M]- 227.15269858 156.6
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