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

185
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 133.0
[M+Na]+ 187.07294 141.0
[M-H]- 163.07644 137.0
[M+NH4]+ 182.11754 153.9
[M+K]+ 203.04688 139.9
[M+H-H2O]+ 147.08098 127.5
[M+HCOO]- 209.08192 157.0
[M+CH3COO]- 223.09757 179.5
[M+Na-2H]- 185.05839 138.9
[M]+ 164.08317 135.3
[M]- 164.08427 135.3
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