CID 9835313

1-phenyl-3-(pyrrolidin-1-yl)propan-2-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CCN(C1)CC(CC2=CC=CC=C2)N
InChI
InChI=1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2
InChIKey
YDLCAQYNXGDYTM-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

204.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.9
[M+Na]+ 227.15186 152.6
[M-H]- 203.15536 152.6
[M+NH4]+ 222.19646 167.2
[M+K]+ 243.12580 149.5
[M+H-H2O]+ 187.15990 140.8
[M+HCOO]- 249.16084 169.6
[M+CH3COO]- 263.17649 187.3
[M+Na-2H]- 225.13731 151.1
[M]+ 204.16209 143.7
[M]- 204.16319 143.7
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