CID 394447

Nsc697921

Structural Information

Molecular Formula
C19H26O4Si
SMILES
CC1(OCCO1)CC(=O)OC(CC2=CC=CC=C2)C#C[Si](C)(C)C
InChI
InChI=1S/C19H26O4Si/c1-19(21-11-12-22-19)15-18(20)23-17(10-13-24(2,3)4)14-16-8-6-5-7-9-16/h5-9,17H,11-12,14-15H2,1-4H3
InChIKey
JYQMZGRHGJRPSR-UHFFFAOYSA-N
Compound name
(1-phenyl-4-trimethylsilylbut-3-yn-2-yl) 2-(2-methyl-1,3-dioxolan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16003 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16731 182.8
[M+Na]+ 369.14925 189.9
[M-H]- 345.15275 187.1
[M+NH4]+ 364.19385 195.6
[M+K]+ 385.12319 186.6
[M+H-H2O]+ 329.15729 170.4
[M+HCOO]- 391.15823 193.8
[M+CH3COO]- 405.17388 211.7
[M+Na-2H]- 367.13470 183.9
[M]+ 346.15948 180.1
[M]- 346.16058 180.1
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

No patent data available for this compound.