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 164.3
[M+Na]+ 289.15228 169.8
[M-H]- 265.15578 164.1
[M+NH4]+ 284.19688 177.3
[M+K]+ 305.12622 167.6
[M+H-H2O]+ 249.16032 151.6
[M+HCOO]- 311.16126 175.1
[M+CH3COO]- 325.17691 204.6
[M+Na-2H]- 287.13773 164.4
[M]+ 266.16251 156.8
[M]- 266.16361 156.8
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