CID 155971081

Tert-butyl 1-ethynyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1C#C)CCOCC2
InChI
InChI=1S/C14H21NO3/c1-5-11-14(6-8-17-9-7-14)10-15(11)12(16)18-13(2,3)4/h1,11H,6-10H2,2-4H3
InChIKey
POVZQBOQNIKPCK-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.7
[M+Na]+ 274.14137 163.8
[M+NH4]+ 269.18597 159.6
[M+K]+ 290.11531 157.0
[M-H]- 250.14487 149.8
[M+Na-2H]- 272.12682 157.4
[M]+ 251.15160 155.1
[M]- 251.15270 155.1
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.