CID 86256501

2-(2,2-dimethyloxolan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(C(CCO1)CC=O)C
InChI
InChI=1S/C8H14O2/c1-8(2)7(3-5-9)4-6-10-8/h5,7H,3-4,6H2,1-2H3
InChIKey
QUHWWCMGQARBIB-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyloxolan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.0
[M+Na]+ 165.08860 140.3
[M+NH4]+ 160.13320 139.9
[M+K]+ 181.06254 134.9
[M-H]- 141.09210 132.2
[M+Na-2H]- 163.07405 135.2
[M]+ 142.09883 132.1
[M]- 142.09993 132.1
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.