CID 46939329

1932625-88-1

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)C#C
InChI
InChI=1S/C11H17NO3/c1-5-8-6-12(7-9(8)13)10(14)15-11(2,3)4/h1,8-9,13H,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKey
VYMZWRJFUIFDAW-IUCAKERBSA-N
Compound name
tert-butyl (3S,4R)-3-ethynyl-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 149.3
[M+Na]+ 234.11007 158.1
[M-H]- 210.11357 149.0
[M+NH4]+ 229.15467 166.1
[M+K]+ 250.08401 155.7
[M+H-H2O]+ 194.11811 137.9
[M+HCOO]- 256.11905 161.4
[M+CH3COO]- 270.13470 191.1
[M+Na-2H]- 232.09552 149.6
[M]+ 211.12030 143.4
[M]- 211.12140 143.4
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

patents stripe