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

50
Patents

218.07631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08359 152.4
[M+Na]+ 241.06553 161.8
[M-H]- 217.06903 153.4
[M+NH4]+ 236.11013 169.0
[M+K]+ 257.03947 157.6
[M+H-H2O]+ 201.07357 141.2
[M+HCOO]- 263.07451 166.8
[M+CH3COO]- 277.09016 191.3
[M+Na-2H]- 239.05098 155.3
[M]+ 218.07576 147.0
[M]- 218.07686 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