CID 67223196

Tert-butyl (2r,4r)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1COC)O
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-9(13)5-8(12)7-15-4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
FGGZZBDJYMUXDT-RKDXNWHRSA-N
Compound name
tert-butyl (2R,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

231.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.3
[M+Na]+ 254.13628 160.6
[M-H]- 230.13978 155.1
[M+NH4]+ 249.18088 172.6
[M+K]+ 270.11022 160.3
[M+H-H2O]+ 214.14432 149.0
[M+HCOO]- 276.14526 171.8
[M+CH3COO]- 290.16091 187.0
[M+Na-2H]- 252.12173 155.3
[M]+ 231.14651 155.9
[M]- 231.14761 155.9
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

patents stripe