CID 54594950

1-{[4-(2-aminoethyl)phenyl]methyl}pyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CC(=O)N(C1)CC2=CC=C(C=C2)CCN
InChI
InChI=1S/C13H18N2O/c14-8-7-11-3-5-12(6-4-11)10-15-9-1-2-13(15)16/h3-6H,1-2,7-10,14H2
InChIKey
JPFSWBXZUUGGFZ-UHFFFAOYSA-N
Compound name
1-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.4
[M+Na]+ 241.131118 156.6
[M-H]- 217.134624 154.9
[M+NH4]+ 236.175723 168.7
[M+K]+ 257.105058 152.9
[M+H-H2O]+ 201.139160 142.7
[M+HCOO]- 263.140101 172.6
[M+CH3COO]- 277.155751 189.9
[M+Na-2H]- 239.116566 152.5
[M]+ 218.14135142 147.4
[M]- 218.14244858 147.4
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