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]+ 250.18016 155.9
[M+Na]+ 272.16210 162.1
[M-H]- 248.16560 158.0
[M+NH4]+ 267.20670 166.6
[M+K]+ 288.13604 162.0
[M+H-H2O]+ 232.17014 140.4
[M+HCOO]- 294.17108 164.9
[M+CH3COO]- 308.18673 202.6
[M+Na-2H]- 270.14755 158.0
[M]+ 249.17233 156.0
[M]- 249.17343 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.