CID 13195064

4-aminopyrrolidin-2-one

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1C(CNC1=O)N
InChI
InChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3H,1-2,5H2,(H,6,7)
InChIKey
JIMSBKAHGYGPLD-UHFFFAOYSA-N
Compound name
4-aminopyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

576
Patents

100.06366 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 118.2
[M+Na]+ 123.05288 125.4
[M-H]- 99.056384 118.6
[M+NH4]+ 118.09748 140.5
[M+K]+ 139.02682 124.0
[M+H-H2O]+ 83.060920 112.7
[M+HCOO]- 145.06186 140.1
[M+CH3COO]- 159.07751 163.3
[M+Na-2H]- 121.03833 122.8
[M]+ 100.06311 112.0
[M]- 100.06421 112.0
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