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

74
Patents

218.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.9
[M+Na]+ 241.13112 155.9
[M-H]- 217.13462 155.7
[M+NH4]+ 236.17572 169.2
[M+K]+ 257.10506 153.1
[M+H-H2O]+ 201.13916 143.0
[M+HCOO]- 263.14010 172.7
[M+CH3COO]- 277.15575 189.6
[M+Na-2H]- 239.11657 153.5
[M]+ 218.14135 147.7
[M]- 218.14245 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