CID 2762205

1255935-12-6

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=NC=C2
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-11(12(9-17)13(18)19)10-4-6-16-7-5-10/h4-7,11-12H,8-9H2,1-3H3,(H,18,19)/t11-,12+/m0/s1
InChIKey
MFBDFVFXHFCNQX-NWDGAFQWSA-N
Compound name
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 167.5
[M+Na]+ 315.13152 176.2
[M+NH4]+ 310.17612 172.2
[M+K]+ 331.10546 175.3
[M-H]- 291.13502 166.6
[M+Na-2H]- 313.11697 170.7
[M]+ 292.14175 168.0
[M]- 292.14285 168.0
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.