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]+ 205.13355 146.7
[M+Na]+ 227.11549 151.7
[M-H]- 203.11899 150.3
[M+NH4]+ 222.16009 164.8
[M+K]+ 243.08943 148.2
[M+H-H2O]+ 187.12353 139.3
[M+HCOO]- 249.12447 167.3
[M+CH3COO]- 263.14012 184.0
[M+Na-2H]- 225.10094 149.4
[M]+ 204.12572 141.3
[M]- 204.12682 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.