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 177.9
[M+Na]+ 309.23012 184.1
[M-H]- 285.23362 181.7
[M+NH4]+ 304.27472 192.7
[M+K]+ 325.20406 181.7
[M+H-H2O]+ 269.23816 164.9
[M+HCOO]- 331.23910 193.3
[M+CH3COO]- 345.25475 222.1
[M+Na-2H]- 307.21557 179.2
[M]+ 286.24035 175.1
[M]- 286.24145 175.1
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.