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]+ 199.09648 140.6
[M+Na]+ 221.07842 148.6
[M-H]- 197.08192 143.4
[M+NH4]+ 216.12302 159.6
[M+K]+ 237.05236 148.2
[M+H-H2O]+ 181.08646 134.9
[M+HCOO]- 243.08740 163.3
[M+CH3COO]- 257.10305 183.0
[M+Na-2H]- 219.06387 145.2
[M]+ 198.08865 145.0
[M]- 198.08975 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.