CID 79661

3-methoxy-4-(methoxymethoxy)benzaldehyde

Structural Information

Molecular Formula
C10H12O4
SMILES
COCOC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C10H12O4/c1-12-7-14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,7H2,1-2H3
InChIKey
QWQRYWWOQOUPQQ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(methoxymethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

71
Patents

196.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 138.1
[M+Na]+ 219.062778 147.1
[M-H]- 195.066284 142.3
[M+NH4]+ 214.107383 158.0
[M+K]+ 235.036718 146.6
[M+H-H2O]+ 179.070820 132.2
[M+HCOO]- 241.071761 163.5
[M+CH3COO]- 255.087411 183.9
[M+Na-2H]- 217.048226 144.6
[M]+ 196.07301142 144.4
[M]- 196.07410858 144.4
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

patents stripe