CID 69742

4-(dimethylamino)-1-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
CN(C)C1CC(=O)N(C1)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c1-13(2)11-8-12(15)14(9-11)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey
XVTZQNZGUDNVOW-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.3
[M+Na]+ 227.11549 152.1
[M-H]- 203.11899 152.1
[M+NH4]+ 222.16009 165.2
[M+K]+ 243.08943 150.4
[M+H-H2O]+ 187.12353 137.7
[M+HCOO]- 249.12447 169.0
[M+CH3COO]- 263.14012 191.0
[M+Na-2H]- 225.10094 148.3
[M]+ 204.12572 144.2
[M]- 204.12682 144.2
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.