CID 170910128

Tert-butyl 2-ethynyl-8-azaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(C2)C#C)CC1
InChI
InChI=1S/C16H25NO2/c1-5-13-6-7-16(12-13)8-10-17(11-9-16)14(18)19-15(2,3)4/h1,13H,6-12H2,2-4H3
InChIKey
NXNFVQQKEYIGSV-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 166.7
[M+Na]+ 286.177758 174.1
[M-H]- 262.181264 168.4
[M+NH4]+ 281.222363 184.0
[M+K]+ 302.151698 168.4
[M+H-H2O]+ 246.185800 154.7
[M+HCOO]- 308.186741 176.0
[M+CH3COO]- 322.202391 200.9
[M+Na-2H]- 284.163206 166.5
[M]+ 263.18799142 157.4
[M]- 263.18908858 157.4
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.