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

877
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.1
[M+Na]+ 151.08418 135.8
[M+NH4]+ 146.12878 134.9
[M+K]+ 167.05812 132.6
[M-H]- 127.08768 127.7
[M+Na-2H]- 149.06963 130.8
[M]+ 128.09441 128.0
[M]- 128.09551 128.0
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

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