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 146.4
[M+Na]+ 227.11549 152.8
[M-H]- 203.11899 151.3
[M+NH4]+ 222.16009 165.3
[M+K]+ 243.08943 149.8
[M+H-H2O]+ 187.12353 139.1
[M+HCOO]- 249.12447 167.9
[M+CH3COO]- 263.14012 187.7
[M+Na-2H]- 225.10094 147.8
[M]+ 204.12572 142.4
[M]- 204.12682 142.4
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

patents stripe