CID 62074692

4-(pyridin-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1C(CNC1=O)C2=CC=NC=C2
InChI
InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
InChIKey
NGECHVBQXAJIFW-UHFFFAOYSA-N
Compound name
4-pyridin-4-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 133.4
[M+Na]+ 185.06854 140.8
[M-H]- 161.07204 135.9
[M+NH4]+ 180.11314 152.2
[M+K]+ 201.04248 137.6
[M+H-H2O]+ 145.07658 125.8
[M+HCOO]- 207.07752 153.6
[M+CH3COO]- 221.09317 146.1
[M+Na-2H]- 183.05399 138.3
[M]+ 162.07877 128.9
[M]- 162.07987 128.9
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.