CID 3040613

Brn 0417941

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCC(C#N)C1(CCN(CC1)C2CCC3=CC=CC=C3C2)O
InChI
InChI=1S/C19H26N2O/c1-2-17(14-20)19(22)9-11-21(12-10-19)18-8-7-15-5-3-4-6-16(15)13-18/h3-6,17-18,22H,2,7-13H2,1H3
InChIKey
NOFSIALXYISUGF-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 176.7
[M+Na]+ 321.19372 187.4
[M+NH4]+ 316.23832 182.9
[M+K]+ 337.16766 174.9
[M-H]- 297.19722 172.9
[M+Na-2H]- 319.17917 179.9
[M]+ 298.20395 176.4
[M]- 298.20505 176.4
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.