CID 139836905

En300-1879037

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)C#C
InChI
InChI=1S/C15H25NO2/c1-7-15(5,6)12-8-10-16(11-9-12)13(17)18-14(2,3)4/h1,12H,8-11H2,2-6H3
InChIKey
LZESNKKYJVWAAS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-methylbut-3-yn-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.18852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 162.6
[M+Na]+ 274.17774 169.0
[M-H]- 250.18124 162.7
[M+NH4]+ 269.22234 176.8
[M+K]+ 290.15168 166.5
[M+H-H2O]+ 234.18578 150.8
[M+HCOO]- 296.18672 171.4
[M+CH3COO]- 310.20237 202.1
[M+Na-2H]- 272.16319 163.8
[M]+ 251.18797 155.7
[M]- 251.18907 155.7
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.