CID 24902609

1135196-06-3

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=NC=C2
InChI
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-11(8-12(17)13(18)19)21-10-4-6-16-7-5-10/h4-7,11-12H,8-9H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKey
OZKQVSFFOPXMGZ-RYUDHWBXSA-N
Compound name
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-yloxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 170.6
[M+Na]+ 331.12642 176.0
[M-H]- 307.12992 173.3
[M+NH4]+ 326.17102 183.6
[M+K]+ 347.10036 174.8
[M+H-H2O]+ 291.13446 163.0
[M+HCOO]- 353.13540 186.3
[M+CH3COO]- 367.15105 199.7
[M+Na-2H]- 329.11187 170.9
[M]+ 308.13665 171.8
[M]- 308.13775 171.8
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

No patent data available for this compound.