CID 53687433

1788908-20-2

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CC1(CCCNC1)O
InChI
InChI=1S/C7H11NO/c1-2-7(9)4-3-5-8-6-7/h1,8-9H,3-6H2
InChIKey
DBXPMYBFLSIFHQ-UHFFFAOYSA-N
Compound name
3-ethynylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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

No literature data available for this compound.

Patent stripe

patents stripe