CID 19895580

4-ethynylpiperidin-4-ol hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CC1(CCNCC1)O
InChI
InChI=1S/C7H11NO/c1-2-7(9)3-5-8-6-4-7/h1,8-9H,3-6H2
InChIKey
GVZFMFFUAZKMOB-UHFFFAOYSA-N
Compound name
4-ethynylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

125.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 127.2
[M+Na]+ 148.073278 135.6
[M-H]- 124.076784 125.5
[M+NH4]+ 143.117883 146.1
[M+K]+ 164.047218 131.2
[M+H-H2O]+ 108.081320 116.5
[M+HCOO]- 170.082261 139.1
[M+CH3COO]- 184.097911 173.6
[M+Na-2H]- 146.058726 132.8
[M]+ 125.08351142 115.5
[M]- 125.08460858 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe