CID 18616723

1-(prop-2-yn-1-yl)piperidin-4-ol

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CCN1CCC(CC1)O
InChI
InChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h1,8,10H,3-7H2
InChIKey
CEUZTHSDJADUSJ-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 127.7
[M+Na]+ 162.08894 135.8
[M-H]- 138.09244 126.9
[M+NH4]+ 157.13354 145.2
[M+K]+ 178.06288 132.5
[M+H-H2O]+ 122.09698 116.1
[M+HCOO]- 184.09792 140.7
[M+CH3COO]- 198.11357 180.1
[M+Na-2H]- 160.07439 131.9
[M]+ 139.09917 118.1
[M]- 139.10027 118.1
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