CID 118193061

Tert-butyl (2s,4r)-2-formyl-4-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C=O)OC
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-9(15-4)5-8(12)7-13/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKey
XAIXKICCDVTSDD-DTWKUNHWSA-N
Compound name
tert-butyl (2S,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.13141 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 152.5
[M+Na]+ 252.12063 160.3
[M+NH4]+ 247.16523 158.0
[M+K]+ 268.09457 159.1
[M-H]- 228.12413 150.4
[M+Na-2H]- 250.10608 153.7
[M]+ 229.13086 152.6
[M]- 229.13196 152.6
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