CID 2214094

1-pyrrolidineacetamide, n-(phenylmethyl)-

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCN(C1)CC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKey
LMRGURFWGRDIIQ-UHFFFAOYSA-N
Compound name
N-benzyl-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

218.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.9
[M+Na]+ 241.13112 154.9
[M-H]- 217.13462 155.2
[M+NH4]+ 236.17572 168.8
[M+K]+ 257.10506 152.1
[M+H-H2O]+ 201.13916 142.7
[M+HCOO]- 263.14010 172.7
[M+CH3COO]- 277.15575 188.4
[M+Na-2H]- 239.11657 154.2
[M]+ 218.14135 147.3
[M]- 218.14245 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe