CID 170914664

2-(4,4-dimethyloxolan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(COCC1CC=O)C
InChI
InChI=1S/C8H14O2/c1-8(2)6-10-5-7(8)3-4-9/h4,7H,3,5-6H2,1-2H3
InChIKey
ICIMLYMQTZHSJX-UHFFFAOYSA-N
Compound name
2-(4,4-dimethyloxolan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 128.1
[M+Na]+ 165.08860 135.9
[M-H]- 141.09210 132.3
[M+NH4]+ 160.13320 152.3
[M+K]+ 181.06254 136.4
[M+H-H2O]+ 125.09664 124.4
[M+HCOO]- 187.09758 150.5
[M+CH3COO]- 201.11323 172.9
[M+Na-2H]- 163.07405 134.3
[M]+ 142.09883 128.9
[M]- 142.09993 128.9
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.