CID 171427

1-decylpyrrolidin-2-one

Structural Information

Molecular Formula
C14H27NO
SMILES
CCCCCCCCCCN1CCCC1=O
InChI
InChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14(15)16/h2-13H2,1H3
InChIKey
ZRECPFOSZXDFDT-UHFFFAOYSA-N
Compound name
1-decylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1451
Patents

225.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.21654 158.9
[M+Na]+ 248.19848 167.7
[M+NH4]+ 243.24308 166.1
[M+K]+ 264.17242 161.8
[M-H]- 224.20198 159.2
[M+Na-2H]- 246.18393 161.2
[M]+ 225.20871 159.9
[M]- 225.20981 159.9
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