CID 12148229

4-methoxyoxane-4-carbaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
COC1(CCOCC1)C=O
InChI
InChI=1S/C7H12O3/c1-9-7(6-8)2-4-10-5-3-7/h6H,2-5H2,1H3
InChIKey
CAHJOULIZJAHEA-UHFFFAOYSA-N
Compound name
4-methoxyoxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

144.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 127.4
[M+Na]+ 167.067858 133.7
[M-H]- 143.071364 131.3
[M+NH4]+ 162.112463 149.3
[M+K]+ 183.041798 135.2
[M+H-H2O]+ 127.075900 122.8
[M+HCOO]- 189.076841 148.3
[M+CH3COO]- 203.092491 171.1
[M+Na-2H]- 165.053306 136.0
[M]+ 144.07809142 126.9
[M]- 144.07918858 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

literature stripe

Patent stripe

patents stripe