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-aminopyridin-2-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

177.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.8
[M+Na]+ 200.07943 144.7
[M-H]- 176.08293 140.6
[M+NH4]+ 195.12403 155.4
[M+K]+ 216.05337 141.8
[M+H-H2O]+ 160.08747 128.8
[M+HCOO]- 222.08841 159.0
[M+CH3COO]- 236.10406 180.5
[M+Na-2H]- 198.06488 140.9
[M]+ 177.08966 132.8
[M]- 177.09076 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