CID 221169

2-(4-methoxyphenyl)propanal

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(C=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C10H12O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3
InChIKey
JDZPCXLQZLJIPR-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

164.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.0
[M+Na]+ 187.07294 147.0
[M+NH4]+ 182.11754 142.6
[M+K]+ 203.04688 140.6
[M-H]- 163.07644 136.0
[M+Na-2H]- 185.05839 141.0
[M]+ 164.08317 136.4
[M]- 164.08427 136.4
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

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