CID 17760

Brn 2808703

Structural Information

Molecular Formula
C15H22N2
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC=CC=C1
InChI
InChI=1S/C15H22N2/c1-13(2)15(12-16,10-11-17(3)4)14-8-6-5-7-9-14/h5-9,13H,10-11H2,1-4H3
InChIKey
JDFNKNOHDAMUJN-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 160.6
[M+Na]+ 253.16752 167.2
[M-H]- 229.17102 164.3
[M+NH4]+ 248.21212 177.0
[M+K]+ 269.14146 164.9
[M+H-H2O]+ 213.17556 147.4
[M+HCOO]- 275.17650 178.6
[M+CH3COO]- 289.19215 210.6
[M+Na-2H]- 251.15297 163.8
[M]+ 230.17775 156.7
[M]- 230.17885 156.7
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.