CID 154699515

Ns00117278

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC(C)[C@@](CCCN)(C#N)C1=CC(=CC=C1)OC
InChI
InChI=1S/C15H22N2O/c1-12(2)15(11-17,8-5-9-16)13-6-4-7-14(10-13)18-3/h4,6-7,10,12H,5,8-9,16H2,1-3H3/t15-/m1/s1
InChIKey
BQGFPUBUNKYGEY-OAHLLOKOSA-N
Compound name
(2R)-5-amino-2-(3-methoxyphenyl)-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 161.2
[M+Na]+ 269.16244 170.8
[M+NH4]+ 264.20704 164.9
[M+K]+ 285.13638 161.9
[M-H]- 245.16594 155.5
[M+Na-2H]- 267.14789 163.5
[M]+ 246.17267 160.0
[M]- 246.17377 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.