CID 131285623

3-amino-4,4-diethylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CCC1(CNC(=O)C1N)CC
InChI
InChI=1S/C8H16N2O/c1-3-8(4-2)5-10-7(11)6(8)9/h6H,3-5,9H2,1-2H3,(H,10,11)
InChIKey
RPVSEENEBPDEMR-UHFFFAOYSA-N
Compound name
3-amino-4,4-diethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.12627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 134.4
[M+Na]+ 179.11549 141.8
[M-H]- 155.11899 134.9
[M+NH4]+ 174.16009 156.9
[M+K]+ 195.08943 139.5
[M+H-H2O]+ 139.12353 129.6
[M+HCOO]- 201.12447 155.1
[M+CH3COO]- 215.14012 176.3
[M+Na-2H]- 177.10094 137.6
[M]+ 156.12572 130.4
[M]- 156.12682 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe