CID 27060324

503165-93-3

Structural Information

Molecular Formula
C12H19NO6
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-5-7(9(14)15)8(6-13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8+/m0/s1
InChIKey
NWRQXIQGLPCWCL-JGVFFNPUSA-N
Compound name
(3R,4S)-4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12125 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12853 160.5
[M+Na]+ 296.11047 165.8
[M+NH4]+ 291.15507 163.7
[M+K]+ 312.08441 167.6
[M-H]- 272.11397 156.0
[M+Na-2H]- 294.09592 159.3
[M]+ 273.12070 159.3
[M]- 273.12180 159.3
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.