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]+ 145.085916 128.0
[M+Na]+ 167.067858 133.4
[M-H]- 143.071364 131.5
[M+NH4]+ 162.112463 147.8
[M+K]+ 183.041798 134.6
[M+H-H2O]+ 127.075900 122.5
[M+HCOO]- 189.076841 148.9
[M+CH3COO]- 203.092491 171.5
[M+Na-2H]- 165.053306 135.4
[M]+ 144.07809142 127.2
[M]- 144.07918858 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