CID 105428602

3-methoxyoxane-3-carbaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
COC1(CCCOC1)C=O
InChI
InChI=1S/C7H12O3/c1-9-7(5-8)3-2-4-10-6-7/h5H,2-4,6H2,1H3
InChIKey
ZZKJRUTXPYKBRX-UHFFFAOYSA-N
Compound name
3-methoxyoxane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.4
[M+Na]+ 167.06786 133.7
[M-H]- 143.07136 131.3
[M+NH4]+ 162.11246 149.3
[M+K]+ 183.04180 135.2
[M+H-H2O]+ 127.07590 122.8
[M+HCOO]- 189.07684 148.3
[M+CH3COO]- 203.09249 171.1
[M+Na-2H]- 165.05331 136.0
[M]+ 144.07809 126.9
[M]- 144.07919 126.9
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

No patent data available for this compound.