CID 26893

Brn 2127925

Structural Information

Molecular Formula
C18H28N2
SMILES
CC(C)C1=CC=C(C=C1)C(CCN(C)C)(C#N)C(C)C
InChI
InChI=1S/C18H28N2/c1-14(2)16-7-9-17(10-8-16)18(13-19,15(3)4)11-12-20(5)6/h7-10,14-15H,11-12H2,1-6H3
InChIKey
KTUSQCQBTLVXLJ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.22525 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 172.6
[M+Na]+ 295.21447 178.5
[M-H]- 271.21797 176.2
[M+NH4]+ 290.25907 187.6
[M+K]+ 311.18841 176.2
[M+H-H2O]+ 255.22251 159.2
[M+HCOO]- 317.22345 188.8
[M+CH3COO]- 331.23910 220.4
[M+Na-2H]- 293.19992 172.6
[M]+ 272.22470 169.4
[M]- 272.22580 169.4
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.