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]+ 224.16451 152.3
[M+Na]+ 246.14645 159.2
[M-H]- 222.14995 152.4
[M+NH4]+ 241.19105 167.4
[M+K]+ 262.12039 156.5
[M+H-H2O]+ 206.15449 140.1
[M+HCOO]- 268.15543 163.2
[M+CH3COO]- 282.17108 196.9
[M+Na-2H]- 244.13190 153.9
[M]+ 223.15668 145.4
[M]- 223.15778 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