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

15
Patents

144.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.0
[M+Na]+ 167.06786 135.1
[M+NH4]+ 162.11246 134.3
[M+K]+ 183.04180 130.4
[M-H]- 143.07136 126.8
[M+Na-2H]- 165.05331 132.5
[M]+ 144.07809 128.1
[M]- 144.07919 128.1
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