CID 12494974

1-aminopyrrolidin-2-one

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CC(=O)N(C1)N
InChI
InChI=1S/C4H8N2O/c5-6-3-1-2-4(6)7/h1-3,5H2
InChIKey
LSROBYZLBGODRN-UHFFFAOYSA-N
Compound name
1-aminopyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1180
Patents

100.06366 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 117.4
[M+Na]+ 123.052878 125.0
[M-H]- 99.056384 119.2
[M+NH4]+ 118.097483 140.5
[M+K]+ 139.026818 124.5
[M+H-H2O]+ 83.060920 111.6
[M+HCOO]- 145.061861 140.8
[M+CH3COO]- 159.077511 165.9
[M+Na-2H]- 121.038326 122.5
[M]+ 100.06311142 113.1
[M]- 100.06420858 113.1
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