CID 13628190

16116-80-6

Structural Information

Molecular Formula
C12H14O2Si
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C12H14O2Si/c1-15(2,3)9-8-10-4-6-11(7-5-10)12(13)14/h4-7H,1-3H3,(H,13,14)
InChIKey
GUFYYXWHDBOLBG-UHFFFAOYSA-N
Compound name
4-(2-trimethylsilylethynyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

218.07631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.083586 152.4
[M+Na]+ 241.065528 161.8
[M-H]- 217.069034 153.4
[M+NH4]+ 236.110133 169.0
[M+K]+ 257.039468 157.6
[M+H-H2O]+ 201.073570 141.2
[M+HCOO]- 263.074511 166.8
[M+CH3COO]- 277.090161 191.3
[M+Na-2H]- 239.050976 155.3
[M]+ 218.07576142 147.0
[M]- 218.07685858 147.0
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