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

4
Patents

235.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.6
[M+Na]+ 258.14645 165.0
[M+NH4]+ 253.19105 160.6
[M+K]+ 274.12039 158.6
[M-H]- 234.14995 147.6
[M+Na-2H]- 256.13190 154.3
[M]+ 235.15668 154.2
[M]- 235.15778 154.2
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