CID 132608059

2010161-71-2

Structural Information

Molecular Formula
C13H28O3Si
SMILES
CC(CCCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C13H28O3Si/c1-11(9-7-8-10-12(14)15)16-17(5,6)13(2,3)4/h11H,7-10H2,1-6H3,(H,14,15)
InChIKey
ASKRGALIOMYNKJ-UHFFFAOYSA-N
Compound name
6-[tert-butyl(dimethyl)silyl]oxyheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18808 164.0
[M+Na]+ 283.17002 168.2
[M-H]- 259.17352 162.2
[M+NH4]+ 278.21462 181.1
[M+K]+ 299.14396 167.7
[M+H-H2O]+ 243.17806 159.6
[M+HCOO]- 305.17900 179.5
[M+CH3COO]- 319.19465 195.6
[M+Na-2H]- 281.15547 165.6
[M]+ 260.18025 167.8
[M]- 260.18135 167.8
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

No patent data available for this compound.