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]+ 161.11722 132.4
[M+Na]+ 183.09916 140.0
[M-H]- 159.10266 135.7
[M+NH4]+ 178.14376 150.6
[M+K]+ 199.07310 142.9
[M+H-H2O]+ 143.10720 125.8
[M+HCOO]- 205.10814 153.0
[M+CH3COO]- 219.12379 179.7
[M+Na-2H]- 181.08461 138.9
[M]+ 160.10939 144.1
[M]- 160.11049 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.