CID 165993780

Tert-butyl 7-ethynyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)C#C
InChI
InChI=1S/C13H19NO3/c1-5-10-6-13(16-7-10)8-14(9-13)11(15)17-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
KQTKPCDSAACEPL-UHFFFAOYSA-N
Compound name
tert-butyl 7-ethynyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 146.6
[M+Na]+ 260.125708 153.9
[M-H]- 236.129214 149.6
[M+NH4]+ 255.170313 158.0
[M+K]+ 276.099648 155.5
[M+H-H2O]+ 220.133750 131.7
[M+HCOO]- 282.134691 157.4
[M+CH3COO]- 296.150341 198.8
[M+Na-2H]- 258.111156 149.6
[M]+ 237.13594142 149.6
[M]- 237.13703858 149.6
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.