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

11
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 130.4
[M+Na]+ 167.104258 136.0
[M-H]- 143.107764 132.8
[M+NH4]+ 162.148863 145.2
[M+K]+ 183.078198 138.7
[M+H-H2O]+ 127.112300 121.4
[M+HCOO]- 189.113241 149.3
[M+CH3COO]- 203.128891 176.9
[M+Na-2H]- 165.089706 135.7
[M]+ 144.11449142 138.9
[M]- 144.11558858 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