CID 155896203

Tert-butyl 7-ethynyl-1-azaspiro[3.5]nonane-1-carboxylate

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)(C)OC(=O)N1CCC12CCC(CC2)C#C
InChI
InChI=1S/C15H23NO2/c1-5-12-6-8-15(9-7-12)10-11-16(15)13(17)18-14(2,3)4/h1,12H,6-11H2,2-4H3
InChIKey
JTPMWRDOKXMAFY-UHFFFAOYSA-N
Compound name
tert-butyl 7-ethynyl-1-azaspiro[3.5]nonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 155.9
[M+Na]+ 272.162098 162.1
[M-H]- 248.165604 158.0
[M+NH4]+ 267.206703 166.6
[M+K]+ 288.136038 162.0
[M+H-H2O]+ 232.170140 140.4
[M+HCOO]- 294.171081 164.9
[M+CH3COO]- 308.186731 202.6
[M+Na-2H]- 270.147546 158.0
[M]+ 249.17233142 156.0
[M]- 249.17342858 156.0
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.