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 167.4
[M+Na]+ 251.09750 177.4
[M-H]- 227.10100 170.2
[M+NH4]+ 246.14210 179.8
[M+K]+ 267.07144 173.1
[M+H-H2O]+ 211.10554 153.2
[M+HCOO]- 273.10648 177.3
[M+CH3COO]- 287.12213 218.6
[M+Na-2H]- 249.08295 167.2
[M]+ 228.10773 158.7
[M]- 228.10883 158.7
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