CID 165623668

Tert-butyl 3-(but-3-yn-1-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCC#C
InChI
InChI=1S/C14H23NO2/c1-5-6-8-12-9-7-10-15(11-12)13(16)17-14(2,3)4/h1,12H,6-11H2,2-4H3
InChIKey
MPJKHRVMQRBMOI-UHFFFAOYSA-N
Compound name
tert-butyl 3-but-3-ynylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 156.6
[M+Na]+ 260.162098 163.2
[M-H]- 236.165604 156.5
[M+NH4]+ 255.206703 171.3
[M+K]+ 276.136038 160.2
[M+H-H2O]+ 220.170140 144.3
[M+HCOO]- 282.171081 167.2
[M+CH3COO]- 296.186731 199.0
[M+Na-2H]- 258.147546 157.7
[M]+ 237.17233142 149.9
[M]- 237.17342858 149.9
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.