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]+ 247.180496 163.8
[M+Na]+ 269.162438 170.9
[M-H]- 245.165944 166.0
[M+NH4]+ 264.207043 179.0
[M+K]+ 285.136378 167.9
[M+H-H2O]+ 229.170480 150.9
[M+HCOO]- 291.171421 181.0
[M+CH3COO]- 305.187071 209.6
[M+Na-2H]- 267.147886 166.1
[M]+ 246.17267142 159.4
[M]- 246.17376858 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.