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]+ 219.14918 150.4
[M+Na]+ 241.13112 156.6
[M-H]- 217.13462 154.9
[M+NH4]+ 236.17572 168.7
[M+K]+ 257.10506 152.9
[M+H-H2O]+ 201.13916 142.7
[M+HCOO]- 263.14010 172.6
[M+CH3COO]- 277.15575 189.9
[M+Na-2H]- 239.11657 152.5
[M]+ 218.14135 147.4
[M]- 218.14245 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