CID 156411479

Tert-butyl 3-ethynyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)C#C
InChI
InChI=1S/C14H21NO2/c1-5-10-8-11-6-7-12(9-10)15(11)13(16)17-14(2,3)4/h1,10-12H,6-9H2,2-4H3
InChIKey
IEYUOQYMYACRBP-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

235.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 159.0
[M+Na]+ 258.146448 167.6
[M-H]- 234.149954 158.7
[M+NH4]+ 253.191053 177.1
[M+K]+ 274.120388 162.4
[M+H-H2O]+ 218.154490 147.8
[M+HCOO]- 280.155431 168.5
[M+CH3COO]- 294.171081 199.1
[M+Na-2H]- 256.131896 159.9
[M]+ 235.15668142 152.7
[M]- 235.15777858 152.7
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

patents stripe