CID 13698775

95373-54-9

Structural Information

Molecular Formula
C16H18O2Si
SMILES
C[Si](CC1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C16H18O2Si/c1-19(13-16(17)18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,17,18)
InChIKey
JIPQZCPYHVQEIZ-UHFFFAOYSA-N
Compound name
2-(benzyl-methyl-phenylsilyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

270.1076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11488 161.6
[M+Na]+ 293.09682 166.7
[M-H]- 269.10032 166.2
[M+NH4]+ 288.14142 177.2
[M+K]+ 309.07076 162.7
[M+H-H2O]+ 253.10486 154.3
[M+HCOO]- 315.10580 181.4
[M+CH3COO]- 329.12145 193.0
[M+Na-2H]- 291.08227 166.9
[M]+ 270.10705 160.8
[M]- 270.10815 160.8
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