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

0
Patents

132.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 123.6
[M+Na]+ 155.06786 130.3
[M-H]- 131.07136 126.4
[M+NH4]+ 150.11246 140.6
[M+K]+ 171.04180 133.6
[M+H-H2O]+ 115.07590 115.5
[M+HCOO]- 177.07684 144.9
[M+CH3COO]- 191.09249 172.9
[M+Na-2H]- 153.05331 130.6
[M]+ 132.07809 133.8
[M]- 132.07919 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