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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.07027	134.4
[M+Na]+	201.05221	142.0
[M-H]-	177.05571	142.4
[M+NH4]+	196.09681	153.4
[M+K]+	217.02615	142.5
[M+H-H2O]+	161.06025	128.8
[M+HCOO]-	223.06119	157.1
[M+CH3COO]-	237.07684	177.1
[M+Na-2H]-	199.03766	141.3
[M]+	178.06244	135.2
[M]-	178.06354	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe