CID 68754339

4-amino-3-methyl-5-[2-(trimethylsilyl)ethynyl]benzonitrile

Structural Information

Molecular Formula
C13H16N2Si
SMILES
CC1=CC(=CC(=C1N)C#C[Si](C)(C)C)C#N
InChI
InChI=1S/C13H16N2Si/c1-10-7-11(9-14)8-12(13(10)15)5-6-16(2,3)4/h7-8H,15H2,1-4H3
InChIKey
KFSIUUAPHDTXHM-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-5-(2-trimethylsilylethynyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.10828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11556 172.5
[M+Na]+ 251.09750 181.1
[M+NH4]+ 246.14210 173.1
[M+K]+ 267.07144 170.6
[M-H]- 227.10100 162.4
[M+Na-2H]- 249.08295 171.3
[M]+ 228.10773 169.7
[M]- 228.10883 169.7
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

patents stripe