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]+ 299.211776 173.9
[M+Na]+ 321.193718 180.3
[M-H]- 297.197224 176.0
[M+NH4]+ 316.238323 187.9
[M+K]+ 337.167658 171.9
[M+H-H2O]+ 281.201760 159.5
[M+HCOO]- 343.202701 183.1
[M+CH3COO]- 357.218351 181.1
[M+Na-2H]- 319.179166 175.2
[M]+ 298.20395142 162.3
[M]- 298.20504858 162.3
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.