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

138
Patents

287.1369 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 163.6
[M+Na]+ 310.12612 169.4
[M-H]- 286.12962 165.7
[M+NH4]+ 305.17072 180.0
[M+K]+ 326.10006 170.6
[M+H-H2O]+ 270.13416 158.2
[M+HCOO]- 332.13510 180.8
[M+CH3COO]- 346.15075 198.5
[M+Na-2H]- 308.11157 162.5
[M]+ 287.13635 168.1
[M]- 287.13745 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