CID 165470903

2013474-57-0

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C#C
InChI
InChI=1S/C13H19NO3/c1-5-11(15)10-6-8-14(9-7-10)12(16)17-13(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
FSMOZCUWUQKHPX-UHFFFAOYSA-N
Compound name
tert-butyl 4-prop-2-ynoylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.9
[M+Na]+ 260.125708 161.8
[M-H]- 236.129214 155.0
[M+NH4]+ 255.170313 169.3
[M+K]+ 276.099648 159.5
[M+H-H2O]+ 220.133750 142.8
[M+HCOO]- 282.134691 165.2
[M+CH3COO]- 296.150341 198.1
[M+Na-2H]- 258.111156 155.4
[M]+ 237.13594142 147.9
[M]- 237.13703858 147.9
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.