CID 121207549

Tert-butyl 1-ethynyl-5-azaspiro[2.3]hexane-5-carboxylate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC2C#C
InChI
InChI=1S/C12H17NO2/c1-5-9-6-12(9)7-13(8-12)10(14)15-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKey
QSPAKAROSUPJKY-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethynyl-5-azaspiro[2.3]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.1
[M+Na]+ 230.11515 158.7
[M-H]- 206.11865 150.8
[M+NH4]+ 225.15975 155.2
[M+K]+ 246.08909 156.8
[M+H-H2O]+ 190.12319 133.1
[M+HCOO]- 252.12413 159.1
[M+CH3COO]- 266.13978 199.0
[M+Na-2H]- 228.10060 150.6
[M]+ 207.12538 152.6
[M]- 207.12648 152.6
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.