CID 21963855

664362-16-7

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C#C
InChI
InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
IJHRDEPFBAXIMW-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

209.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.7
[M+Na]+ 232.130808 156.1
[M-H]- 208.134314 149.0
[M+NH4]+ 227.175413 164.4
[M+K]+ 248.104748 153.6
[M+H-H2O]+ 192.138850 136.7
[M+HCOO]- 254.139791 159.9
[M+CH3COO]- 268.155441 193.6
[M+Na-2H]- 230.116256 150.7
[M]+ 209.14104142 141.4
[M]- 209.14213858 141.4
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