CID 155970819

Tert-butyl 4-(dimethylamino)-4-ethynylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#C)N(C)C
InChI
InChI=1S/C14H24N2O2/c1-7-14(15(5)6)8-10-16(11-9-14)12(17)18-13(2,3)4/h1H,8-11H2,2-6H3
InChIKey
NQOWHATZKAIRKZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(dimethylamino)-4-ethynylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 159.9
[M+Na]+ 275.17300 166.8
[M-H]- 251.17650 161.4
[M+NH4]+ 270.21760 176.1
[M+K]+ 291.14694 164.9
[M+H-H2O]+ 235.18104 148.1
[M+HCOO]- 297.18198 171.8
[M+CH3COO]- 311.19763 206.0
[M+Na-2H]- 273.15845 161.8
[M]+ 252.18323 153.9
[M]- 252.18433 153.9
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

No patent data available for this compound.