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 173.9
[M+Na]+ 321.19372 180.3
[M-H]- 297.19722 176.0
[M+NH4]+ 316.23832 187.9
[M+K]+ 337.16766 171.9
[M+H-H2O]+ 281.20176 159.5
[M+HCOO]- 343.20270 183.1
[M+CH3COO]- 357.21835 181.1
[M+Na-2H]- 319.17917 175.2
[M]+ 298.20395 162.3
[M]- 298.20505 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.