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]+ 205.133546 145.3
[M+Na]+ 227.115488 152.1
[M-H]- 203.118994 152.1
[M+NH4]+ 222.160093 165.2
[M+K]+ 243.089428 150.4
[M+H-H2O]+ 187.123530 137.7
[M+HCOO]- 249.124471 169.0
[M+CH3COO]- 263.140121 191.0
[M+Na-2H]- 225.100936 148.3
[M]+ 204.12572142 144.2
[M]- 204.12681858 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.