CID 201511

6139-27-1

Structural Information

Molecular Formula
C14H19NO
SMILES
CCCCC1(CCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-2-3-10-14(11-9-13(16)15-14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,16)
InChIKey
CHOKEQLKMIBXOX-UHFFFAOYSA-N
Compound name
5-butyl-5-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.3
[M+Na]+ 240.135888 157.6
[M-H]- 216.139394 154.8
[M+NH4]+ 235.180493 171.4
[M+K]+ 256.109828 153.4
[M+H-H2O]+ 200.143930 144.5
[M+HCOO]- 262.144871 171.3
[M+CH3COO]- 276.160521 184.5
[M+Na-2H]- 238.121336 154.7
[M]+ 217.14612142 148.4
[M]- 217.14721858 148.4
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.