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

9
Patents

295.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.7
[M+Na]+ 318.14645 175.5
[M-H]- 294.14995 177.2
[M+NH4]+ 313.19105 185.1
[M+K]+ 334.12039 170.4
[M+H-H2O]+ 278.15449 161.8
[M+HCOO]- 340.15543 189.5
[M+CH3COO]- 354.17108 199.9
[M+Na-2H]- 316.13190 170.8
[M]+ 295.15668 167.8
[M]- 295.15778 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