CID 11218358

4-methoxy-3-(3-methoxypropoxy)benzaldehyde

Structural Information

Molecular Formula
C12H16O4
SMILES
COCCCOC1=C(C=CC(=C1)C=O)OC
InChI
InChI=1S/C12H16O4/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
RBSXHAWCVPPVNP-UHFFFAOYSA-N
Compound name
4-methoxy-3-(3-methoxypropoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

224.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 147.6
[M+Na]+ 247.094078 155.7
[M-H]- 223.097584 151.3
[M+NH4]+ 242.138683 166.2
[M+K]+ 263.068018 154.7
[M+H-H2O]+ 207.102120 141.2
[M+HCOO]- 269.103061 172.3
[M+CH3COO]- 283.118711 189.9
[M+Na-2H]- 245.079526 152.9
[M]+ 224.10431142 154.5
[M]- 224.10540858 154.5
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