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]+ 219.14918 150.8
[M+Na]+ 241.13112 162.5
[M+NH4]+ 236.17572 159.3
[M+K]+ 257.10506 157.9
[M-H]- 217.13462 154.7
[M+Na-2H]- 239.11657 157.3
[M]+ 218.14135 153.4
[M]- 218.14245 153.4
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.