CID 139026804

Tert-butyl 7-ethynyl-4-azaspiro[2.4]heptane-4-carboxylate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)N1CCC(C12CC2)C#C
InChI
InChI=1S/C13H19NO2/c1-5-10-6-9-14(13(10)7-8-13)11(15)16-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
XKWDUYFPPIDJOD-UHFFFAOYSA-N
Compound name
tert-butyl 7-ethynyl-4-azaspiro[2.4]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 153.1
[M+Na]+ 244.13081 168.3
[M-H]- 220.13431 158.4
[M+NH4]+ 239.17541 169.6
[M+K]+ 260.10475 161.0
[M+H-H2O]+ 204.13885 144.7
[M+HCOO]- 266.13979 167.5
[M+CH3COO]- 280.15544 197.2
[M+Na-2H]- 242.11626 156.9
[M]+ 221.14104 152.0
[M]- 221.14214 152.0
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.