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 159.0
[M+Na]+ 258.14645 167.6
[M-H]- 234.14995 158.7
[M+NH4]+ 253.19105 177.1
[M+K]+ 274.12039 162.4
[M+H-H2O]+ 218.15449 147.8
[M+HCOO]- 280.15543 168.5
[M+CH3COO]- 294.17108 199.1
[M+Na-2H]- 256.13190 159.9
[M]+ 235.15668 152.7
[M]- 235.15778 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