CID 125424439

Rac-tert-butyl (3r,4s)-3-ethynyl-4-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)OC)C#C
InChI
InChI=1S/C12H19NO3/c1-6-9-7-13(8-10(9)15-5)11(14)16-12(2,3)4/h1,9-10H,7-8H2,2-5H3/t9-,10-/m1/s1
InChIKey
BTOZKYFVHAHDEX-NXEZZACHSA-N
Compound name
tert-butyl (3R,4S)-3-ethynyl-4-methoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.4
[M+Na]+ 248.12571 160.2
[M-H]- 224.12921 152.1
[M+NH4]+ 243.17031 168.3
[M+K]+ 264.09965 158.3
[M+H-H2O]+ 208.13375 139.6
[M+HCOO]- 270.13469 164.6
[M+CH3COO]- 284.15034 196.2
[M+Na-2H]- 246.11116 151.8
[M]+ 225.13594 147.5
[M]- 225.13704 147.5
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.