CID 765256

N-(3-chlorophenyl)-1-pyrrolidinecarboxamide

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C1CCN(C1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H13ClN2O/c12-9-4-3-5-10(8-9)13-11(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,13,15)
InChIKey
OGFAKZKTOPZPFP-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

224.07164 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 149.8
[M+Na]+ 247.06086 156.4
[M-H]- 223.06436 154.6
[M+NH4]+ 242.10546 168.7
[M+K]+ 263.03480 152.2
[M+H-H2O]+ 207.06890 142.7
[M+HCOO]- 269.06984 167.5
[M+CH3COO]- 283.08549 186.6
[M+Na-2H]- 245.04631 152.7
[M]+ 224.07109 147.8
[M]- 224.07219 147.8
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