CID 413

Norcotinine

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CC(=O)NC1C2=CN=CC=C2
InChI
InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKey
FXFANIORDKRCCA-UHFFFAOYSA-N
Compound name
5-pyridin-3-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

416
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

patents stripe