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]+ 205.133546 145.4
[M+Na]+ 227.115488 152.0
[M-H]- 203.118994 150.6
[M+NH4]+ 222.160093 164.6
[M+K]+ 243.089428 148.9
[M+H-H2O]+ 187.123530 137.8
[M+HCOO]- 249.124471 168.5
[M+CH3COO]- 263.140121 187.5
[M+Na-2H]- 225.100936 149.0
[M]+ 204.12572142 143.0
[M]- 204.12681858 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.