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]+ 254.17508 161.0
[M+Na]+ 276.15702 165.2
[M-H]- 252.16052 162.1
[M+NH4]+ 271.20162 176.8
[M+K]+ 292.13096 163.9
[M+H-H2O]+ 236.16506 154.7
[M+HCOO]- 298.16600 176.1
[M+CH3COO]- 312.18165 194.1
[M+Na-2H]- 274.14247 161.6
[M]+ 253.16725 159.6
[M]- 253.16835 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