CID 130945109

3,3-dimethoxycyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O3
SMILES
COC1(CC(C1)O)OC
InChI
InChI=1S/C6H12O3/c1-8-6(9-2)3-5(7)4-6/h5,7H,3-4H2,1-2H3
InChIKey
SVJAHCCZKKZMMK-UHFFFAOYSA-N
Compound name
3,3-dimethoxycyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

132.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 123.6
[M+Na]+ 155.067858 130.3
[M-H]- 131.071364 126.4
[M+NH4]+ 150.112463 140.6
[M+K]+ 171.041798 133.6
[M+H-H2O]+ 115.075900 115.5
[M+HCOO]- 177.076841 144.9
[M+CH3COO]- 191.092491 172.9
[M+Na-2H]- 153.053306 130.6
[M]+ 132.07809142 133.8
[M]- 132.07918858 133.8
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