CID 165913202

Tert-butyl 6-ethynyl-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)N1CCC12CC(C2)C#C
InChI
InChI=1S/C13H19NO2/c1-5-10-8-13(9-10)6-7-14(13)11(15)16-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
FEHKBNISXXQNAA-UHFFFAOYSA-N
Compound name
tert-butyl 6-ethynyl-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 141.1
[M+Na]+ 244.130808 146.8
[M-H]- 220.134314 144.0
[M+NH4]+ 239.175413 146.9
[M+K]+ 260.104748 151.6
[M+H-H2O]+ 204.138850 123.7
[M+HCOO]- 266.139791 151.2
[M+CH3COO]- 280.155441 206.2
[M+Na-2H]- 242.116256 144.3
[M]+ 221.14104142 151.2
[M]- 221.14213858 151.2
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.