CID 26908

Brn 2135103

Structural Information

Molecular Formula
C19H30N2
SMILES
CC(C)C(CCN(C)C)(C#N)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C19H30N2/c1-15(2)19(14-20,12-13-21(6)7)17-10-8-16(9-11-17)18(3,4)5/h8-11,15H,12-13H2,1-7H3
InChIKey
JPHFYCRSFWQNLY-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2409 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24818 173.6
[M+Na]+ 309.23012 183.1
[M+NH4]+ 304.27472 177.5
[M+K]+ 325.20406 174.3
[M-H]- 285.23362 168.2
[M+Na-2H]- 307.21557 176.1
[M]+ 286.24035 172.7
[M]- 286.24145 172.7
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.