CID 10486805

3-aminopyrrolidin-2-one

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CNC(=O)C1N
InChI
InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)
InChIKey
YNDAMDVOGKACTP-UHFFFAOYSA-N
Compound name
3-aminopyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

926
Patents

100.06366 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 118.5
[M+Na]+ 123.05288 127.1
[M+NH4]+ 118.09748 126.3
[M+K]+ 139.02682 124.6
[M-H]- 99.056384 118.6
[M+Na-2H]- 121.03833 122.1
[M]+ 100.06311 119.2
[M]- 100.06421 119.2
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