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]+ 224.16451 151.9
[M+Na]+ 246.14645 161.7
[M-H]- 222.14995 153.1
[M+NH4]+ 241.19105 171.0
[M+K]+ 262.12039 158.5
[M+H-H2O]+ 206.15449 141.3
[M+HCOO]- 268.15543 164.8
[M+CH3COO]- 282.17108 196.6
[M+Na-2H]- 244.13190 153.1
[M]+ 223.15668 147.5
[M]- 223.15778 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.