CID 84062139

1-(5-aminopyridin-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1CC(=O)N(C1)C2=NC=C(C=C2)N
InChI
InChI=1S/C9H11N3O/c10-7-3-4-8(11-6-7)12-5-1-2-9(12)13/h3-4,6H,1-2,5,10H2
InChIKey
XHTAHSGYOMWHKX-UHFFFAOYSA-N
Compound name
1-(5-amino-2-pyridinyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

177.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 136.8
[M+Na]+ 200.079428 144.7
[M-H]- 176.082934 140.6
[M+NH4]+ 195.124033 155.4
[M+K]+ 216.053368 141.8
[M+H-H2O]+ 160.087470 128.8
[M+HCOO]- 222.088411 159.0
[M+CH3COO]- 236.104061 180.5
[M+Na-2H]- 198.064876 140.9
[M]+ 177.08966142 132.8
[M]- 177.09075858 132.8
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

patents stripe