CID 134859905

(2s,5r)-n-methyl-5-phenylpyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CNC(=O)[C@@H]1CC[C@@H](N1)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c1-13-12(15)11-8-7-10(14-11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3,(H,13,15)/t10-,11+/m1/s1
InChIKey
UFIMHJZGPGMUMI-MNOVXSKESA-N
Compound name
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.7
[M+Na]+ 227.115488 151.7
[M-H]- 203.118994 150.3
[M+NH4]+ 222.160093 164.8
[M+K]+ 243.089428 148.2
[M+H-H2O]+ 187.123530 139.3
[M+HCOO]- 249.124471 167.3
[M+CH3COO]- 263.140121 184.0
[M+Na-2H]- 225.100936 149.4
[M]+ 204.12572142 141.3
[M]- 204.12681858 141.3
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

No patent data available for this compound.