CID 10850830

1378388-30-7

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C(=O)OC
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(17)14-7-8(10(15)18-4)6-9(14)11(16)19-5/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKey
OGALWEUKFZWWKV-IUCAKERBSA-N
Compound name
1-O-tert-butyl 2-O,4-O-dimethyl (2S,4S)-pyrrolidine-1,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

287.1369 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.144176 163.6
[M+Na]+ 310.126118 169.4
[M-H]- 286.129624 165.7
[M+NH4]+ 305.170723 180.0
[M+K]+ 326.100058 170.6
[M+H-H2O]+ 270.134160 158.2
[M+HCOO]- 332.135101 180.8
[M+CH3COO]- 346.150751 198.5
[M+Na-2H]- 308.111566 162.5
[M]+ 287.13635142 168.1
[M]- 287.13744858 168.1
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

patents stripe