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

42
Patents

125.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 127.2
[M+Na]+ 148.07328 135.6
[M-H]- 124.07678 125.5
[M+NH4]+ 143.11788 146.1
[M+K]+ 164.04722 131.2
[M+H-H2O]+ 108.08132 116.5
[M+HCOO]- 170.08226 139.1
[M+CH3COO]- 184.09791 173.6
[M+Na-2H]- 146.05873 132.8
[M]+ 125.08351 115.5
[M]- 125.08461 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