CID 10154115

4-(1,3-dioxolan-2-yl)butanal

Structural Information

Molecular Formula
C7H12O3
SMILES
C1COC(O1)CCCC=O
InChI
InChI=1S/C7H12O3/c8-4-2-1-3-7-9-5-6-10-7/h4,7H,1-3,5-6H2
InChIKey
NEROWICBJPSXRB-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

144.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 128.9
[M+Na]+ 167.067858 135.3
[M-H]- 143.071364 133.1
[M+NH4]+ 162.112463 149.3
[M+K]+ 183.041798 137.2
[M+H-H2O]+ 127.075900 124.1
[M+HCOO]- 189.076841 150.9
[M+CH3COO]- 203.092491 171.4
[M+Na-2H]- 165.053306 135.9
[M]+ 144.07809142 130.7
[M]- 144.07918858 130.7
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