CID 10511569

3-methoxy-4-(methoxymethyl)benzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
COCC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C10H12O3/c1-12-7-9-4-3-8(6-11)5-10(9)13-2/h3-6H,7H2,1-2H3
InChIKey
QPHYZGTZDUSYGU-UHFFFAOYSA-N
Compound name
3-methoxy-4-(methoxymethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 135.2
[M+Na]+ 203.067858 144.3
[M-H]- 179.071364 139.4
[M+NH4]+ 198.112463 155.7
[M+K]+ 219.041798 143.2
[M+H-H2O]+ 163.075900 129.5
[M+HCOO]- 225.076841 160.4
[M+CH3COO]- 239.092491 181.8
[M+Na-2H]- 201.053306 141.6
[M]+ 180.07809142 139.9
[M]- 180.07918858 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe