CID 597487

Benzaldehyde, 3,4-dimethoxy-, methylmonoacetal

Structural Information

Molecular Formula
C10H14O4
SMILES
COC1=C(C=C(C=C1)C(O)OC)OC
InChI
InChI=1S/C10H14O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6,10-11H,1-3H3
InChIKey
WAWCZSAVQGKWAW-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-methoxymethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 140.6
[M+Na]+ 221.078418 148.6
[M-H]- 197.081924 143.4
[M+NH4]+ 216.123023 159.6
[M+K]+ 237.052358 148.2
[M+H-H2O]+ 181.086460 134.9
[M+HCOO]- 243.087401 163.3
[M+CH3COO]- 257.103051 183.0
[M+Na-2H]- 219.063866 145.2
[M]+ 198.08865142 145.0
[M]- 198.08974858 145.0
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

No patent data available for this compound.