CID 79782

2-(4-methoxyphenyl)acetaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
COC1=CC=C(C=C1)CC=O
InChI
InChI=1S/C9H10O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,7H,6H2,1H3
InChIKey
NRIVMXXOUOBRAG-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3500
Patents

150.06808 Da
Monoisotopic Mass

1.4
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