CID 3047645

Piperidine, 3,4-didehydro-4-ethynyl-1,2,2,6,6-pentamethyl-

Structural Information

Molecular Formula
C12H19N
SMILES
CC1(CC(=CC(N1C)(C)C)C#C)C
InChI
InChI=1S/C12H19N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h1,8H,9H2,2-6H3
InChIKey
UCGUPPBDCWQZJE-UHFFFAOYSA-N
Compound name
4-ethynyl-1,2,2,6,6-pentamethyl-3H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 134.4
[M+Na]+ 200.140968 146.2
[M-H]- 176.144474 136.5
[M+NH4]+ 195.185573 155.8
[M+K]+ 216.114908 141.7
[M+H-H2O]+ 160.149010 124.4
[M+HCOO]- 222.149951 149.0
[M+CH3COO]- 236.165601 192.7
[M+Na-2H]- 198.126416 139.4
[M]+ 177.15120142 129.3
[M]- 177.15229858 129.3
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.