CID 3004304

Nsc643904

Structural Information

Molecular Formula
C14H24O2Si2
SMILES
C[Si](C)(C)C#C/C(=C(\CO)/C#C[Si](C)(C)C)/CO
InChI
InChI=1S/C14H24O2Si2/c1-17(2,3)9-7-13(11-15)14(12-16)8-10-18(4,5)6/h15-16H,11-12H2,1-6H3/b14-13+
InChIKey
XWVPMVNAZBXNAM-BUHFOSPRSA-N
Compound name
(E)-2,3-bis(2-trimethylsilylethynyl)but-2-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13147 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13875 179.0
[M+Na]+ 303.12069 186.1
[M-H]- 279.12419 177.9
[M+NH4]+ 298.16529 189.7
[M+K]+ 319.09463 182.9
[M+H-H2O]+ 263.12873 166.1
[M+HCOO]- 325.12967 182.4
[M+CH3COO]- 339.14532 214.6
[M+Na-2H]- 301.10614 176.4
[M]+ 280.13092 170.2
[M]- 280.13202 170.2
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.