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 163.8
[M+Na]+ 269.16244 170.9
[M-H]- 245.16594 166.0
[M+NH4]+ 264.20704 179.0
[M+K]+ 285.13638 167.9
[M+H-H2O]+ 229.17048 150.9
[M+HCOO]- 291.17142 181.0
[M+CH3COO]- 305.18707 209.6
[M+Na-2H]- 267.14789 166.1
[M]+ 246.17267 159.4
[M]- 246.17377 159.4
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.