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]+ 254.17508 158.6
[M+Na]+ 276.15702 166.2
[M-H]- 252.16052 159.0
[M+NH4]+ 271.20162 174.6
[M+K]+ 292.13096 163.6
[M+H-H2O]+ 236.16506 147.2
[M+HCOO]- 298.16600 169.5
[M+CH3COO]- 312.18165 200.4
[M+Na-2H]- 274.14247 161.1
[M]+ 253.16725 153.7
[M]- 253.16835 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.