CID 11829988

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

Structural Information

Molecular Formula
C10H10O3
SMILES
C1COC(O1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C10H10O3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,7,10H,5-6H2
InChIKey
XXTKORQHKOYXIH-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

178.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 135.3
[M+Na]+ 201.05221 148.1
[M+NH4]+ 196.09681 144.1
[M+K]+ 217.02615 144.3
[M-H]- 177.05571 141.2
[M+Na-2H]- 199.03766 141.8
[M]+ 178.06244 138.8
[M]- 178.06354 138.8
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