CID 155858801

1311174-96-5

Structural Information

Molecular Formula
C13H26O3Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@@]12[C@@H](CCC[C@@H]1O2)O
InChI
InChI=1S/C13H26O3Si/c1-12(2,3)17(4,5)15-9-13-10(14)7-6-8-11(13)16-13/h10-11,14H,6-9H2,1-5H3/t10-,11+,13-/m1/s1
InChIKey
JXADXLDFNFTSRN-NTZNESFSSA-N
Compound name
(1R,2R,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[4.1.0]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.16513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.172406 160.1
[M+Na]+ 281.154348 167.3
[M-H]- 257.157854 164.1
[M+NH4]+ 276.198953 174.3
[M+K]+ 297.128288 167.1
[M+H-H2O]+ 241.162390 156.0
[M+HCOO]- 303.163331 173.2
[M+CH3COO]- 317.178981 194.9
[M+Na-2H]- 279.139796 167.6
[M]+ 258.16458142 164.5
[M]- 258.16567858 164.5
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.