CID 13659727

97308-62-8

Structural Information

Molecular Formula
C12H13NSi
SMILES
C[Si](C)(C)C#CC1=CC=CC=C1C#N
InChI
InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h4-7H,1-3H3
InChIKey
OSJJQDZTHSMKBV-UHFFFAOYSA-N
Compound name
2-(2-trimethylsilylethynyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

199.08173 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08901 160.0
[M+Na]+ 222.07095 170.1
[M-H]- 198.07445 162.9
[M+NH4]+ 217.11555 173.2
[M+K]+ 238.04489 165.3
[M+H-H2O]+ 182.07899 145.7
[M+HCOO]- 244.07993 170.0
[M+CH3COO]- 258.09558 212.6
[M+Na-2H]- 220.05640 161.8
[M]+ 199.08118 151.8
[M]- 199.08228 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe