CID 2755972

(2s,5r)-1-[(tert-butoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid

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

241
Patents

291.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 168.3
[M+Na]+ 314.136278 173.6
[M-H]- 290.139784 172.2
[M+NH4]+ 309.180883 183.5
[M+K]+ 330.110218 171.6
[M+H-H2O]+ 274.144320 161.6
[M+HCOO]- 336.145261 184.8
[M+CH3COO]- 350.160911 197.7
[M+Na-2H]- 312.121726 167.9
[M]+ 291.14651142 167.9
[M]- 291.14760858 167.9
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