CID 53621928

3-ethoxy-2,2-dimethylcyclobutan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCOC1CC(C1(C)C)O
InChI
InChI=1S/C8H16O2/c1-4-10-7-5-6(9)8(7,2)3/h6-7,9H,4-5H2,1-3H3
InChIKey
SNZVOCZNCMCBKA-UHFFFAOYSA-N
Compound name
3-ethoxy-2,2-dimethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 129.9
[M+Na]+ 167.10426 136.9
[M-H]- 143.10776 132.8
[M+NH4]+ 162.14886 146.9
[M+K]+ 183.07820 139.1
[M+H-H2O]+ 127.11230 122.0
[M+HCOO]- 189.11324 150.3
[M+CH3COO]- 203.12889 177.9
[M+Na-2H]- 165.08971 135.1
[M]+ 144.11449 139.7
[M]- 144.11559 139.7
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

patents stripe