CID 84075986

3,3-dimethoxycyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
COC1(CC(C1)C=O)OC
InChI
InChI=1S/C7H12O3/c1-9-7(10-2)3-6(4-7)5-8/h5-6H,3-4H2,1-2H3
InChIKey
CYBIWBIFKAUICM-UHFFFAOYSA-N
Compound name
3,3-dimethoxycyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

144.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 125.1
[M+Na]+ 167.067858 132.2
[M-H]- 143.071364 129.2
[M+NH4]+ 162.112463 142.3
[M+K]+ 183.041798 135.5
[M+H-H2O]+ 127.075900 116.8
[M+HCOO]- 189.076841 147.8
[M+CH3COO]- 203.092491 177.5
[M+Na-2H]- 165.053306 132.2
[M]+ 144.07809142 136.8
[M]- 144.07918858 136.8
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