CID 86627358

2-(piperidin-4-yl)but-3-yn-2-ol

Structural Information

Molecular Formula
C9H15NO
SMILES
CC(C#C)(C1CCNCC1)O
InChI
InChI=1S/C9H15NO/c1-3-9(2,11)8-4-6-10-7-5-8/h1,8,10-11H,4-7H2,2H3
InChIKey
BVLPGYNVDZMCJS-UHFFFAOYSA-N
Compound name
2-piperidin-4-ylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 137.5
[M+Na]+ 176.10459 144.2
[M-H]- 152.10809 135.2
[M+NH4]+ 171.14919 153.5
[M+K]+ 192.07853 140.4
[M+H-H2O]+ 136.11263 126.2
[M+HCOO]- 198.11357 147.2
[M+CH3COO]- 212.12922 179.7
[M+Na-2H]- 174.09004 141.5
[M]+ 153.11482 125.5
[M]- 153.11592 125.5
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.