CID 25478174

1030181-52-2

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC#C
InChI
InChI=1S/C14H22N2O3/c1-5-8-15-12(17)11-6-9-16(10-7-11)13(18)19-14(2,3)4/h1,11H,6-10H2,2-4H3,(H,15,17)
InChIKey
XYNQIICDAJZIHK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(prop-2-ynylcarbamoyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

266.16306 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.7
[M+Na]+ 289.15228 170.7
[M+NH4]+ 284.19688 165.4
[M+K]+ 305.12622 164.1
[M-H]- 265.15578 154.7
[M+Na-2H]- 287.13773 162.5
[M]+ 266.16251 160.9
[M]- 266.16361 160.9
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

patents stripe