CID 2755972

221352-49-4

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)N1[C@H](CC[C@H]1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-12(9-10-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
InChIKey
ADTXMICUZGOWDF-OLZOCXBDSA-N
Compound name
(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

291.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 168.0
[M+Na]+ 314.13628 176.7
[M+NH4]+ 309.18088 173.4
[M+K]+ 330.11022 175.2
[M-H]- 290.13978 167.8
[M+Na-2H]- 312.12173 171.3
[M]+ 291.14651 168.8
[M]- 291.14761 168.8
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