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 125.1
[M+Na]+ 167.06786 132.2
[M-H]- 143.07136 129.2
[M+NH4]+ 162.11246 142.3
[M+K]+ 183.04180 135.5
[M+H-H2O]+ 127.07590 116.8
[M+HCOO]- 189.07684 147.8
[M+CH3COO]- 203.09249 177.5
[M+Na-2H]- 165.05331 132.2
[M]+ 144.07809 136.8
[M]- 144.07919 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