CID 177798243

Tert-butyl 4-ethynyl-4-(methoxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(COC)C#C
InChI
InChI=1S/C14H23NO3/c1-6-14(11-17-5)7-9-15(10-8-14)12(16)18-13(2,3)4/h1H,7-11H2,2-5H3
InChIKey
QQLNNZRQJPCTER-UHFFFAOYSA-N
Compound name
tert-butyl 4-ethynyl-4-(methoxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 158.6
[M+Na]+ 276.157018 166.2
[M-H]- 252.160524 159.0
[M+NH4]+ 271.201623 174.6
[M+K]+ 292.130958 163.6
[M+H-H2O]+ 236.165060 147.2
[M+HCOO]- 298.166001 169.5
[M+CH3COO]- 312.181651 200.4
[M+Na-2H]- 274.142466 161.1
[M]+ 253.16725142 153.7
[M]- 253.16834858 153.7
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.