CID 146155516

2416217-64-4

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)N1[C@H](CC[C@H]1C(=O)O)C2=CC=CC=N2
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-11(7-8-12(17)13(18)19)10-6-4-5-9-16-10/h4-6,9,11-12H,7-8H2,1-3H3,(H,18,19)/t11-,12+/m1/s1
InChIKey
YXKQHBYBGLZKEM-NEPJUHHUSA-N
Compound name
(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 168.2
[M+Na]+ 315.13152 173.8
[M-H]- 291.13502 170.9
[M+NH4]+ 310.17612 181.9
[M+K]+ 331.10546 172.0
[M+H-H2O]+ 275.13956 160.7
[M+HCOO]- 337.14050 183.7
[M+CH3COO]- 351.15615 197.5
[M+Na-2H]- 313.11697 168.3
[M]+ 292.14175 167.9
[M]- 292.14285 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

No patent data available for this compound.