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]+ 264.19582 166.7
[M+Na]+ 286.17776 174.1
[M-H]- 262.18126 168.4
[M+NH4]+ 281.22236 184.0
[M+K]+ 302.15170 168.4
[M+H-H2O]+ 246.18580 154.7
[M+HCOO]- 308.18674 176.0
[M+CH3COO]- 322.20239 200.9
[M+Na-2H]- 284.16321 166.5
[M]+ 263.18799 157.4
[M]- 263.18909 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.