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]+ 231.185576 160.6
[M+Na]+ 253.167518 167.2
[M-H]- 229.171024 164.3
[M+NH4]+ 248.212123 177.0
[M+K]+ 269.141458 164.9
[M+H-H2O]+ 213.175560 147.4
[M+HCOO]- 275.176501 178.6
[M+CH3COO]- 289.192151 210.6
[M+Na-2H]- 251.152966 163.8
[M]+ 230.17775142 156.7
[M]- 230.17884858 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.