CID 57900573

895239-61-9

Structural Information

Molecular Formula
C19H21NO2
SMILES
C1[C@H]([C@@H](CN1CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c21-19(22)18-14-20(12-16-9-5-2-6-10-16)13-17(18)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,21,22)/t17-,18-/m1/s1
InChIKey
VGJHMAVFQJLHKA-QZTJIDSGSA-N
Compound name
(3S,4S)-1,4-dibenzylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 170.7
[M+Na]+ 318.146448 175.5
[M-H]- 294.149954 177.2
[M+NH4]+ 313.191053 185.1
[M+K]+ 334.120388 170.4
[M+H-H2O]+ 278.154490 161.8
[M+HCOO]- 340.155431 189.5
[M+CH3COO]- 354.171081 199.9
[M+Na-2H]- 316.131896 170.8
[M]+ 295.15668142 167.8
[M]- 295.15777858 167.8
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