CID 203235

2-pyrrolidinone, 1-(p-1-pyrrolidinylbenzyl)-

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN(C1)C2=CC=C(C=C2)CN3CCCC3=O
InChI
InChI=1S/C15H20N2O/c18-15-4-3-11-17(15)12-13-5-7-14(8-6-13)16-9-1-2-10-16/h5-8H,1-4,9-12H2
InChIKey
SPRFNYJIQJCXOH-UHFFFAOYSA-N
Compound name
1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 158.2
[M+Na]+ 267.14678 163.4
[M-H]- 243.15028 164.6
[M+NH4]+ 262.19138 175.8
[M+K]+ 283.12072 159.8
[M+H-H2O]+ 227.15482 149.2
[M+HCOO]- 289.15576 177.2
[M+CH3COO]- 303.17141 169.3
[M+Na-2H]- 265.13223 157.0
[M]+ 244.15701 153.5
[M]- 244.15811 153.5
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.