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]+ 222.14887 141.1
[M+Na]+ 244.13081 146.8
[M-H]- 220.13431 144.0
[M+NH4]+ 239.17541 146.9
[M+K]+ 260.10475 151.6
[M+H-H2O]+ 204.13885 123.7
[M+HCOO]- 266.13979 151.2
[M+CH3COO]- 280.15544 206.2
[M+Na-2H]- 242.11626 144.3
[M]+ 221.14104 151.2
[M]- 221.14214 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.