CID 50987520

1-[3-(1-aminoethyl)phenyl]pyrrolidin-2-one

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(C1=CC(=CC=C1)N2CCCC2=O)N
InChI
InChI=1S/C12H16N2O/c1-9(13)10-4-2-5-11(8-10)14-7-3-6-12(14)15/h2,4-5,8-9H,3,6-7,13H2,1H3
InChIKey
PHDOEZIQADMSJW-UHFFFAOYSA-N
Compound name
1-[3-(1-aminoethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.1
[M+Na]+ 227.11549 157.8
[M+NH4]+ 222.16009 155.2
[M+K]+ 243.08943 153.7
[M-H]- 203.11899 150.3
[M+Na-2H]- 225.10094 153.0
[M]+ 204.12572 149.3
[M]- 204.12682 149.3
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

patents stripe