CID 53648558

2-(oxan-4-yloxy)acetaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
C1COCCC1OCC=O
InChI
InChI=1S/C7H12O3/c8-3-6-10-7-1-4-9-5-2-7/h3,7H,1-2,4-6H2
InChIKey
AQJHTQJYUBWMDL-UHFFFAOYSA-N
Compound name
2-(oxan-4-yloxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 128.0
[M+Na]+ 167.06786 133.4
[M-H]- 143.07136 131.5
[M+NH4]+ 162.11246 147.8
[M+K]+ 183.04180 134.6
[M+H-H2O]+ 127.07590 122.5
[M+HCOO]- 189.07684 148.9
[M+CH3COO]- 203.09249 171.5
[M+Na-2H]- 165.05331 135.4
[M]+ 144.07809 127.2
[M]- 144.07919 127.2
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