CID 131230416

2-ethoxy-2-(oxolan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC(C=O)C1CCOC1
InChI
InChI=1S/C8H14O3/c1-2-11-8(5-9)7-3-4-10-6-7/h5,7-8H,2-4,6H2,1H3
InChIKey
OJRVERQZLYXTFF-UHFFFAOYSA-N
Compound name
2-ethoxy-2-(oxolan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.2
[M+Na]+ 181.083518 139.8
[M-H]- 157.087024 137.7
[M+NH4]+ 176.128123 155.2
[M+K]+ 197.057458 141.1
[M+H-H2O]+ 141.091560 129.0
[M+HCOO]- 203.092501 155.8
[M+CH3COO]- 217.108151 175.1
[M+Na-2H]- 179.068966 138.5
[M]+ 158.09375142 135.1
[M]- 158.09484858 135.1
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.