CID 105430913

4-ethoxyoxane-4-carbaldehyde

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC1(CCOCC1)C=O
InChI
InChI=1S/C8H14O3/c1-2-11-8(7-9)3-5-10-6-4-8/h7H,2-6H2,1H3
InChIKey
GRTHVHSFMLMRAN-UHFFFAOYSA-N
Compound name
4-ethoxyoxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 132.0
[M+Na]+ 181.083518 137.9
[M-H]- 157.087024 135.7
[M+NH4]+ 176.128123 153.3
[M+K]+ 197.057458 139.2
[M+H-H2O]+ 141.091560 127.2
[M+HCOO]- 203.092501 152.6
[M+CH3COO]- 217.108151 174.1
[M+Na-2H]- 179.068966 140.1
[M]+ 158.09375142 131.9
[M]- 158.09484858 131.9
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.