CID 12258400

1-(2-amino-2-phenylethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CC(=O)N(C1)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C12H16N2O/c13-11(10-5-2-1-3-6-10)9-14-8-4-7-12(14)15/h1-3,5-6,11H,4,7-9,13H2
InChIKey
VUIBEGUIHTWDKC-UHFFFAOYSA-N
Compound name
1-(2-amino-2-phenylethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.5
[M+Na]+ 227.115488 151.9
[M-H]- 203.118994 150.9
[M+NH4]+ 222.160093 165.0
[M+K]+ 243.089428 148.9
[M+H-H2O]+ 187.123530 138.8
[M+HCOO]- 249.124471 168.0
[M+CH3COO]- 263.140121 186.6
[M+Na-2H]- 225.100936 148.6
[M]+ 204.12572142 142.1
[M]- 204.12681858 142.1
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.