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]+ 309.144476 170.6
[M+Na]+ 331.126418 176.0
[M-H]- 307.129924 173.3
[M+NH4]+ 326.171023 183.6
[M+K]+ 347.100358 174.8
[M+H-H2O]+ 291.134460 163.0
[M+HCOO]- 353.135401 186.3
[M+CH3COO]- 367.151051 199.7
[M+Na-2H]- 329.111866 170.9
[M]+ 308.13665142 171.8
[M]- 308.13774858 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.