CID 10262067

Tert-butyl (2r)-2-ethynylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C#C
InChI
InChI=1S/C11H17NO2/c1-5-9-7-6-8-12(9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3/t9-/m0/s1
InChIKey
MKFYNQAKTJFISL-VIFPVBQESA-N
Compound name
tert-butyl (2R)-2-ethynylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 146.3
[M+Na]+ 218.11515 154.9
[M-H]- 194.11865 146.9
[M+NH4]+ 213.15975 164.2
[M+K]+ 234.08909 152.5
[M+H-H2O]+ 178.12319 134.5
[M+HCOO]- 240.12413 159.6
[M+CH3COO]- 254.13978 190.6
[M+Na-2H]- 216.10060 147.5
[M]+ 195.12538 140.5
[M]- 195.12648 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe