CID 7020797

Pyrrolidine, 1-(n-phenylalanyl)-

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCN(C1)C(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C13H18N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h1-3,6-7,12H,4-5,8-10,14H2/t12-/m0/s1
InChIKey
XJPALNDNNCWDJU-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

218.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 152.0
[M+Na]+ 241.13112 155.7
[M-H]- 217.13462 155.9
[M+NH4]+ 236.17572 169.5
[M+K]+ 257.10506 153.0
[M+H-H2O]+ 201.13916 143.9
[M+HCOO]- 263.14010 172.1
[M+CH3COO]- 277.15575 188.7
[M+Na-2H]- 239.11657 153.0
[M]+ 218.14135 146.7
[M]- 218.14245 146.7
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