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]+ 159.10158 134.2
[M+Na]+ 181.08352 139.8
[M-H]- 157.08702 137.7
[M+NH4]+ 176.12812 155.2
[M+K]+ 197.05746 141.1
[M+H-H2O]+ 141.09156 129.0
[M+HCOO]- 203.09250 155.8
[M+CH3COO]- 217.10815 175.1
[M+Na-2H]- 179.06897 138.5
[M]+ 158.09375 135.1
[M]- 158.09485 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.