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

114
Patents

209.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.7
[M+Na]+ 232.13081 156.1
[M-H]- 208.13431 149.0
[M+NH4]+ 227.17541 164.4
[M+K]+ 248.10475 153.6
[M+H-H2O]+ 192.13885 136.7
[M+HCOO]- 254.13979 159.9
[M+CH3COO]- 268.15544 193.6
[M+Na-2H]- 230.11626 150.7
[M]+ 209.14104 141.4
[M]- 209.14214 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