CID 20494673

2-(2-ethoxyethoxy)acetaldehyde

Structural Information

Molecular Formula
C6H12O3
SMILES
CCOCCOCC=O
InChI
InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h3H,2,4-6H2,1H3
InChIKey
VAKGZFIDFWQAJM-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

132.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 125.8
[M+Na]+ 155.06786 133.3
[M-H]- 131.07136 126.1
[M+NH4]+ 150.11246 148.0
[M+K]+ 171.04180 134.0
[M+H-H2O]+ 115.07590 121.2
[M+HCOO]- 177.07684 150.6
[M+CH3COO]- 191.09249 172.3
[M+Na-2H]- 153.05331 133.1
[M]+ 132.07809 130.9
[M]- 132.07919 130.9
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

patents stripe