CID 54592773

3-(ethylamino)-1-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
CCNC1CCN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c1-2-13-11-8-9-14(12(11)15)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKey
ZYMYDOGLNPBVHI-UHFFFAOYSA-N
Compound name
3-(ethylamino)-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.4
[M+Na]+ 227.11549 152.0
[M-H]- 203.11899 150.6
[M+NH4]+ 222.16009 164.6
[M+K]+ 243.08943 148.9
[M+H-H2O]+ 187.12353 137.8
[M+HCOO]- 249.12447 168.5
[M+CH3COO]- 263.14012 187.5
[M+Na-2H]- 225.10094 149.0
[M]+ 204.12572 143.0
[M]- 204.12682 143.0
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

No patent data available for this compound.