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]+ 163.086596 133.4
[M+Na]+ 185.068538 140.8
[M-H]- 161.072044 135.9
[M+NH4]+ 180.113143 152.2
[M+K]+ 201.042478 137.6
[M+H-H2O]+ 145.076580 125.8
[M+HCOO]- 207.077521 153.6
[M+CH3COO]- 221.093171 146.1
[M+Na-2H]- 183.053986 138.3
[M]+ 162.07877142 128.9
[M]- 162.07986858 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

literature stripe

Patent stripe

No patent data available for this compound.