CID 66368353

3-(tert-butoxy)cyclobutan-1-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(C)(C)OC1CC(C1)O
InChI
InChI=1S/C8H16O2/c1-8(2,3)10-7-4-6(9)5-7/h6-7,9H,4-5H2,1-3H3
InChIKey
QEKMRRYREDRZMQ-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 130.4
[M+Na]+ 167.10426 136.0
[M-H]- 143.10776 132.8
[M+NH4]+ 162.14886 145.2
[M+K]+ 183.07820 138.7
[M+H-H2O]+ 127.11230 121.4
[M+HCOO]- 189.11324 149.3
[M+CH3COO]- 203.12889 176.9
[M+Na-2H]- 165.08971 135.7
[M]+ 144.11449 138.9
[M]- 144.11559 138.9
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