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]+ 188.143376 144.5
[M+Na]+ 210.125318 155.4
[M-H]- 186.128824 148.6
[M+NH4]+ 205.169923 163.3
[M+K]+ 226.099258 152.3
[M+H-H2O]+ 170.133360 133.3
[M+HCOO]- 232.134301 162.9
[M+CH3COO]- 246.149951 200.0
[M+Na-2H]- 208.110766 148.9
[M]+ 187.13555142 141.3
[M]- 187.13664858 141.3
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.