CID 89439875

1428243-24-6

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC[C@@H]1CN(C[C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKey
LKPALAXKZXXURJ-OLZOCXBDSA-N
Compound name
(3R,4S)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

277.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.4
[M+Na]+ 300.12062 169.6
[M-H]- 276.12412 168.1
[M+NH4]+ 295.16522 179.9
[M+K]+ 316.09456 167.2
[M+H-H2O]+ 260.12866 157.0
[M+HCOO]- 322.12960 182.8
[M+CH3COO]- 336.14525 195.0
[M+Na-2H]- 298.10607 163.4
[M]+ 277.13085 164.1
[M]- 277.13195 164.1
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