CID 64062297

1-(but-3-yn-1-yl)-3,3-dimethylpiperidine

Structural Information

Molecular Formula
C11H19N
SMILES
CC1(CCCN(C1)CCC#C)C
InChI
InChI=1S/C11H19N/c1-4-5-8-12-9-6-7-11(2,3)10-12/h1H,5-10H2,2-3H3
InChIKey
YNWGGNNCYZVPCH-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3,3-dimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 135.2
[M+Na]+ 188.140968 143.7
[M-H]- 164.144474 135.8
[M+NH4]+ 183.185573 154.4
[M+K]+ 204.114908 139.6
[M+H-H2O]+ 148.149010 123.7
[M+HCOO]- 210.149951 148.6
[M+CH3COO]- 224.165601 188.5
[M+Na-2H]- 186.126416 139.6
[M]+ 165.15120142 127.3
[M]- 165.15229858 127.3
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.