CID 138112367

Tert-butyl 4-ethynyl-3,3-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1(CN(CC1C#C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H21NO2/c1-7-10-8-14(9-13(10,5)6)11(15)16-12(2,3)4/h1,10H,8-9H2,2-6H3
InChIKey
VWORSLRRUJYZOT-UHFFFAOYSA-N
Compound name
tert-butyl 4-ethynyl-3,3-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 151.9
[M+Na]+ 246.146448 161.7
[M-H]- 222.149954 153.1
[M+NH4]+ 241.191053 171.0
[M+K]+ 262.120388 158.5
[M+H-H2O]+ 206.154490 141.3
[M+HCOO]- 268.155431 164.8
[M+CH3COO]- 282.171081 196.6
[M+Na-2H]- 244.131896 153.1
[M]+ 223.15668142 147.5
[M]- 223.15777858 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.