CID 165470903

En300-797846

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]+ 238.14377 154.9
[M+Na]+ 260.12571 161.8
[M-H]- 236.12921 155.0
[M+NH4]+ 255.17031 169.3
[M+K]+ 276.09965 159.5
[M+H-H2O]+ 220.13375 142.8
[M+HCOO]- 282.13469 165.2
[M+CH3COO]- 296.15034 198.1
[M+Na-2H]- 258.11116 155.4
[M]+ 237.13594 147.9
[M]- 237.13704 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.