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 159.7
[M+Na]+ 296.11047 165.4
[M-H]- 272.11397 160.5
[M+NH4]+ 291.15507 175.8
[M+K]+ 312.08441 166.0
[M+H-H2O]+ 256.11851 154.6
[M+HCOO]- 318.11945 175.7
[M+CH3COO]- 332.13510 193.8
[M+Na-2H]- 294.09592 158.6
[M]+ 273.12070 161.9
[M]- 273.12180 161.9
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.