CID 53799149

2-(oxan-2-yl)acetaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CCOC(C1)CC=O
InChI
InChI=1S/C7H12O2/c8-5-4-7-3-1-2-6-9-7/h5,7H,1-4,6H2
InChIKey
GILZHONTPSTKOK-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

128.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.0
[M+Na]+ 151.07294 137.2
[M+NH4]+ 146.11754 134.9
[M+K]+ 167.04688 131.3
[M-H]- 127.07644 129.1
[M+Na-2H]- 149.05839 131.2
[M]+ 128.08317 128.3
[M]- 128.08427 128.3
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