CID 4992130

31466-46-3

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCN(C1)C(CN)C2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2
InChIKey
DIFGFCHLYHBEMH-UHFFFAOYSA-N
Compound name
2-phenyl-2-pyrrolidin-1-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

190.147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.3
[M+Na]+ 213.13622 155.7
[M+NH4]+ 208.18082 154.3
[M+K]+ 229.11016 150.7
[M-H]- 189.13972 149.2
[M+Na-2H]- 211.12167 152.3
[M]+ 190.14645 147.7
[M]- 190.14755 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

literature stripe

Patent stripe

patents stripe