CID 3661214

1,3-dioxolane-2-propionaldehyde

Structural Information

Molecular Formula
C6H10O3
SMILES
C1COC(O1)CCC=O
InChI
InChI=1S/C6H10O3/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2
InChIKey
XFMMMZDHPNOERJ-UHFFFAOYSA-N
Compound name
3-(1,3-dioxolan-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

130.06299 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 124.1
[M+Na]+ 153.05221 130.9
[M-H]- 129.05571 128.5
[M+NH4]+ 148.09681 145.0
[M+K]+ 169.02615 133.1
[M+H-H2O]+ 113.06025 119.5
[M+HCOO]- 175.06119 146.4
[M+CH3COO]- 189.07684 168.4
[M+Na-2H]- 151.03766 131.7
[M]+ 130.06244 125.6
[M]- 130.06354 125.6
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