CID 55264769

2-(oxan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC(COC1)CC=O
InChI
InChI=1S/C7H12O2/c8-4-3-7-2-1-5-9-6-7/h4,7H,1-3,5-6H2
InChIKey
AFVRMQAWHRPFBQ-UHFFFAOYSA-N
Compound name
2-(oxan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

128.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.1
[M+Na]+ 151.072938 130.6
[M-H]- 127.076444 128.6
[M+NH4]+ 146.117543 145.6
[M+K]+ 167.046878 131.3
[M+H-H2O]+ 111.080980 119.8
[M+HCOO]- 173.081921 145.8
[M+CH3COO]- 187.097571 169.5
[M+Na-2H]- 149.058386 132.5
[M]+ 128.08317142 122.8
[M]- 128.08426858 122.8
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

patents stripe