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]+ 154.122646 137.5
[M+Na]+ 176.104588 144.2
[M-H]- 152.108094 135.2
[M+NH4]+ 171.149193 153.5
[M+K]+ 192.078528 140.4
[M+H-H2O]+ 136.112630 126.2
[M+HCOO]- 198.113571 147.2
[M+CH3COO]- 212.129221 179.7
[M+Na-2H]- 174.090036 141.5
[M]+ 153.11482142 125.5
[M]- 153.11591858 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

patents stripe