CID 2756009

147266-79-3

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=CC=C2
InChI
InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-10-12(9-13(17)14(18)19)21-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKey
IQFZJNCETIGXIO-STQMWFEESA-N
Compound name
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenoxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

307.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 170.6
[M+Na]+ 330.13119 178.8
[M+NH4]+ 325.17579 175.3
[M+K]+ 346.10513 177.9
[M-H]- 306.13469 169.9
[M+Na-2H]- 328.11664 173.5
[M]+ 307.14142 171.1
[M]- 307.14252 171.1
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