CID 62811962

1909308-52-6

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CNCCC1(C2=CC=CC3=C2C=CN=C3)O
InChI
InChI=1S/C14H16N2O/c17-14(5-8-15-9-6-14)13-3-1-2-11-10-16-7-4-12(11)13/h1-4,7,10,15,17H,5-6,8-9H2
InChIKey
BVCCBNRYICMUQQ-UHFFFAOYSA-N
Compound name
4-isoquinolin-5-ylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 153.2
[M+Na]+ 251.11549 159.3
[M-H]- 227.11899 154.6
[M+NH4]+ 246.16009 169.5
[M+K]+ 267.08943 153.8
[M+H-H2O]+ 211.12353 144.5
[M+HCOO]- 273.12447 167.6
[M+CH3COO]- 287.14012 163.1
[M+Na-2H]- 249.10094 160.7
[M]+ 228.12572 146.1
[M]- 228.12682 146.1
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.