CID 218056

4-ethynyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol

Structural Information

Molecular Formula
C17H21NO
SMILES
C#CC1(CCN(CC1)C2CCC3=CC=CC=C3C2)O
InChI
InChI=1S/C17H21NO/c1-2-17(19)9-11-18(12-10-17)16-8-7-14-5-3-4-6-15(14)13-16/h1,3-6,16,19H,7-13H2
InChIKey
ZEGXFGQSFILBAM-UHFFFAOYSA-N
Compound name
4-ethynyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.9
[M+Na]+ 278.15153 171.1
[M-H]- 254.15503 164.5
[M+NH4]+ 273.19613 178.4
[M+K]+ 294.12547 161.6
[M+H-H2O]+ 238.15957 149.3
[M+HCOO]- 300.16051 171.6
[M+CH3COO]- 314.17616 171.0
[M+Na-2H]- 276.13698 165.5
[M]+ 255.16176 150.4
[M]- 255.16286 150.4
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

No patent data available for this compound.