CID 130900038

3,3-dimethoxy-2,2-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1(C(CC1(OC)OC)O)C
InChI
InChI=1S/C8H16O3/c1-7(2)6(9)5-8(7,10-3)11-4/h6,9H,5H2,1-4H3
InChIKey
VUBUJMVLKZVDCU-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-2,2-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 132.4
[M+Na]+ 183.099158 140.0
[M-H]- 159.102664 135.7
[M+NH4]+ 178.143763 150.6
[M+K]+ 199.073098 142.9
[M+H-H2O]+ 143.107200 125.8
[M+HCOO]- 205.108141 153.0
[M+CH3COO]- 219.123791 179.7
[M+Na-2H]- 181.084606 138.9
[M]+ 160.10939142 144.1
[M]- 160.11048858 144.1
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.