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]+ 166.15903 135.2
[M+Na]+ 188.14097 143.7
[M-H]- 164.14447 135.8
[M+NH4]+ 183.18557 154.4
[M+K]+ 204.11491 139.6
[M+H-H2O]+ 148.14901 123.7
[M+HCOO]- 210.14995 148.6
[M+CH3COO]- 224.16560 188.5
[M+Na-2H]- 186.12642 139.6
[M]+ 165.15120 127.3
[M]- 165.15230 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.