CID 145913424

1-(but-3-yn-1-yl)-3-propylpiperidin-3-ol

Structural Information

Molecular Formula
C12H21NO
SMILES
CCCC1(CCCN(C1)CCC#C)O
InChI
InChI=1S/C12H21NO/c1-3-5-9-13-10-6-8-12(14,11-13)7-4-2/h1,14H,4-11H2,2H3
InChIKey
BNJADFBJLVVVAD-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-propylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 143.5
[M+Na]+ 218.151528 151.2
[M-H]- 194.155034 142.6
[M+NH4]+ 213.196133 160.9
[M+K]+ 234.125468 146.6
[M+H-H2O]+ 178.159570 132.0
[M+HCOO]- 240.160511 155.4
[M+CH3COO]- 254.176161 190.5
[M+Na-2H]- 216.136976 146.9
[M]+ 195.16176142 135.5
[M]- 195.16285858 135.5
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.