CID 26909

Brn 2131923

Structural Information

Molecular Formula
C16H24N2O
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC=C(C=C1)OC
InChI
InChI=1S/C16H24N2O/c1-13(2)16(12-17,10-11-18(3)4)14-6-8-15(19-5)9-7-14/h6-9,13H,10-11H2,1-5H3
InChIKey
KHMNBVSNVDQBAP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 164.0
[M+Na]+ 283.17809 174.0
[M+NH4]+ 278.22269 168.0
[M+K]+ 299.15203 165.2
[M-H]- 259.18159 158.8
[M+Na-2H]- 281.16354 166.9
[M]+ 260.18832 163.2
[M]- 260.18942 163.2
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.