CID 4198339

1-benzyl-3-acetamidopyrrolidine

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(=O)NC1CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c1-11(16)14-13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,14,16)
InChIKey
CMSWETNAAPYFSH-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

218.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.9
[M+Na]+ 241.131118 155.9
[M-H]- 217.134624 155.7
[M+NH4]+ 236.175723 169.2
[M+K]+ 257.105058 153.1
[M+H-H2O]+ 201.139160 143.0
[M+HCOO]- 263.140101 172.7
[M+CH3COO]- 277.155751 189.6
[M+Na-2H]- 239.116566 153.5
[M]+ 218.14135142 147.7
[M]- 218.14244858 147.7
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