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]+ 218.15395 151.3
[M+Na]+ 240.13589 157.6
[M-H]- 216.13939 154.8
[M+NH4]+ 235.18049 171.4
[M+K]+ 256.10983 153.4
[M+H-H2O]+ 200.14393 144.5
[M+HCOO]- 262.14487 171.3
[M+CH3COO]- 276.16052 184.5
[M+Na-2H]- 238.12134 154.7
[M]+ 217.14612 148.4
[M]- 217.14722 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.