CID 11126607

3-(4-methoxyphenyl)propanal

Structural Information

Molecular Formula
C10H12O2
SMILES
COC1=CC=C(C=C1)CCC=O
InChI
InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,2-3H2,1H3
InChIKey
ZOXCMZXXNOSBHU-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1138
Patents

164.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.8
[M+Na]+ 187.07294 141.0
[M-H]- 163.07644 136.6
[M+NH4]+ 182.11754 153.8
[M+K]+ 203.04688 139.4
[M+H-H2O]+ 147.08098 127.2
[M+HCOO]- 209.08192 157.8
[M+CH3COO]- 223.09757 178.7
[M+Na-2H]- 185.05839 139.9
[M]+ 164.08317 135.7
[M]- 164.08427 135.7
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