CID 10104399

(4s)-4-(phenylmethyl)-l-proline

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-12(15)11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/t10-,11-/m0/s1
InChIKey
JQVMMZMKXGQVGQ-QWRGUYRKSA-N
Compound name
(2S,4S)-4-benzylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

205.11028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.6
[M+Na]+ 228.09950 151.9
[M-H]- 204.10300 148.8
[M+NH4]+ 223.14410 164.2
[M+K]+ 244.07344 148.1
[M+H-H2O]+ 188.10754 139.7
[M+HCOO]- 250.10848 164.8
[M+CH3COO]- 264.12413 179.3
[M+Na-2H]- 226.08495 148.3
[M]+ 205.10973 141.5
[M]- 205.11083 141.5
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