CID 3034874

5565-09-3

Structural Information

Molecular Formula
C13H18N2O
SMILES
C[C@@H]1C[C@H](C(=O)N1C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H18N2O/c1-10-9-12(14(2)3)13(16)15(10)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12-/m1/s1
InChIKey
AOJIWEQNRDHGJX-ZYHUDNBSSA-N
Compound name
(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.6
[M+Na]+ 241.131118 156.8
[M-H]- 217.134624 156.5
[M+NH4]+ 236.175723 169.2
[M+K]+ 257.105058 154.9
[M+H-H2O]+ 201.139160 142.1
[M+HCOO]- 263.140101 172.9
[M+CH3COO]- 277.155751 195.1
[M+Na-2H]- 239.116566 151.3
[M]+ 218.14135142 149.2
[M]- 218.14244858 149.2
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.