CID 24834

4-ethoxybenzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
InChIKey
JRHHJNMASOIRDS-UHFFFAOYSA-N
Compound name
4-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

3880
Patents

150.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 129.3
[M+Na]+ 173.05730 142.9
[M+NH4]+ 168.10190 138.3
[M+K]+ 189.03124 136.0
[M-H]- 149.06080 131.7
[M+Na-2H]- 171.04275 137.0
[M]+ 150.06753 131.9
[M]- 150.06863 131.9
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