CID 18616662

Chembl4780248

Structural Information

Molecular Formula
C9H15NO
SMILES
C#CCN1CCC(CC1)CO
InChI
InChI=1S/C9H15NO/c1-2-5-10-6-3-9(8-11)4-7-10/h1,9,11H,3-8H2
InChIKey
VCERCHZMFVTHBV-UHFFFAOYSA-N
Compound name
(1-prop-2-ynylpiperidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

153.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 131.6
[M+Na]+ 176.10459 139.3
[M-H]- 152.10809 130.7
[M+NH4]+ 171.14919 148.6
[M+K]+ 192.07853 135.8
[M+H-H2O]+ 136.11263 119.8
[M+HCOO]- 198.11357 144.3
[M+CH3COO]- 212.12922 182.8
[M+Na-2H]- 174.09004 135.4
[M]+ 153.11482 122.3
[M]- 153.11592 122.3
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