CID 125424439

2031242-53-0

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 149.0
[M+Na]+ 248.12571 157.3
[M+NH4]+ 243.17031 151.6
[M+K]+ 264.09965 152.3
[M-H]- 224.12921 139.7
[M+Na-2H]- 246.11116 148.2
[M]+ 225.13594 146.4
[M]- 225.13704 146.4
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.