CID 3346280

30568-30-0

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=CC(=C(C(=C1)C)C(C)(C)C#N)C
InChI
InChI=1S/C13H17N/c1-9-6-10(2)12(11(3)7-9)13(4,5)8-14/h6-7H,1-5H3
InChIKey
ALCHFHFTPLGICW-UHFFFAOYSA-N
Compound name
2-methyl-2-(2,4,6-trimethylphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 142.3
[M+Na]+ 210.12532 155.2
[M+NH4]+ 205.16992 147.7
[M+K]+ 226.09926 145.6
[M-H]- 186.12882 137.5
[M+Na-2H]- 208.11077 146.6
[M]+ 187.13555 142.2
[M]- 187.13665 142.2
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.