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

2087
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 159.0
[M+Na]+ 248.19848 163.3
[M-H]- 224.20198 159.5
[M+NH4]+ 243.24308 177.7
[M+K]+ 264.17242 160.6
[M+H-H2O]+ 208.20652 151.8
[M+HCOO]- 270.20746 178.7
[M+CH3COO]- 284.22311 192.2
[M+Na-2H]- 246.18393 159.4
[M]+ 225.20871 160.1
[M]- 225.20981 160.1
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.