CID 126454918

Tert-butyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)(C)OC(=O)C1CCN(CC1)CC#C
InChI
InChI=1S/C13H21NO2/c1-5-8-14-9-6-11(7-10-14)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3
InChIKey
LPHLFOILAJZNGM-UHFFFAOYSA-N
Compound name
tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

223.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 152.3
[M+Na]+ 246.146448 159.2
[M-H]- 222.149954 152.4
[M+NH4]+ 241.191053 167.4
[M+K]+ 262.120388 156.5
[M+H-H2O]+ 206.154490 140.1
[M+HCOO]- 268.155431 163.2
[M+CH3COO]- 282.171081 196.9
[M+Na-2H]- 244.131896 153.9
[M]+ 223.15668142 145.4
[M]- 223.15777858 145.4
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