CID 115873980

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

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(CCCN(C1)CCC#C)O
InChI
InChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-10(2,12)9-11/h1,12H,4-9H2,2H3
InChIKey
YNSYCBGUKFTFBB-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 137.8
[M+Na]+ 190.12023 148.1
[M+NH4]+ 185.16483 143.5
[M+K]+ 206.09417 137.6
[M-H]- 166.12373 130.7
[M+Na-2H]- 188.10568 140.6
[M]+ 167.13046 136.4
[M]- 167.13156 136.4
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.