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 127.9
[M+Na]+ 148.07328 138.0
[M+NH4]+ 143.11788 133.8
[M+K]+ 164.04722 128.1
[M-H]- 124.07678 120.4
[M+Na-2H]- 146.05873 131.0
[M]+ 125.08351 126.3
[M]- 125.08461 126.3
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