CID 17754165

Ns00073580

Structural Information

Molecular Formula
C7H14O4Si
SMILES
C[Si](C)(C)[C@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C7H14O4Si/c1-12(2,3)5(7(10)11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKey
RTXZCZFAAYFFKF-RXMQYKEDSA-N
Compound name
(2R)-2-trimethylsilylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

190.06613 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07341 139.1
[M+Na]+ 213.05535 144.9
[M-H]- 189.05885 136.6
[M+NH4]+ 208.09995 157.8
[M+K]+ 229.02929 144.9
[M+H-H2O]+ 173.06339 135.2
[M+HCOO]- 235.06433 156.0
[M+CH3COO]- 249.07998 177.2
[M+Na-2H]- 211.04080 141.1
[M]+ 190.06558 139.3
[M]- 190.06668 139.3
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.