CID 137699029

Tert-butyl 4-(but-2-enoyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
C/C=C/C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO3/c1-5-6-12(16)11-7-9-15(10-8-11)13(17)18-14(2,3)4/h5-6,11H,7-10H2,1-4H3/b6-5+
InChIKey
DDSQDOFHRREAHJ-AATRIKPKSA-N
Compound name
tert-butyl 4-[(E)-but-2-enoyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.0
[M+Na]+ 276.157018 165.2
[M-H]- 252.160524 162.1
[M+NH4]+ 271.201623 176.8
[M+K]+ 292.130958 163.9
[M+H-H2O]+ 236.165060 154.7
[M+HCOO]- 298.166001 176.1
[M+CH3COO]- 312.181651 194.1
[M+Na-2H]- 274.142466 161.6
[M]+ 253.16725142 159.6
[M]- 253.16834858 159.6
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