CID 90660

1-(2-aminoethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
C1CC(=O)N(C1)CCN
InChI
InChI=1S/C6H12N2O/c7-3-5-8-4-1-2-6(8)9/h1-5,7H2
InChIKey
HHEKNWQXFVOUNJ-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

997
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 126.5
[M+Na]+ 151.084178 133.3
[M-H]- 127.087684 128.0
[M+NH4]+ 146.128783 148.5
[M+K]+ 167.058118 132.3
[M+H-H2O]+ 111.092220 120.4
[M+HCOO]- 173.093161 149.3
[M+CH3COO]- 187.108811 172.1
[M+Na-2H]- 149.069626 130.5
[M]+ 128.09441142 122.9
[M]- 128.09550858 122.9
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