CID 251692

2,4-dimethoxy-5-methylbenzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=CC(=C(C=C1OC)OC)C=O
InChI
InChI=1S/C10H12O3/c1-7-4-8(6-11)10(13-3)5-9(7)12-2/h4-6H,1-3H3
InChIKey
PMDWXGKDTZRMOL-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-5-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 134.2
[M+Na]+ 203.067858 144.3
[M-H]- 179.071364 138.9
[M+NH4]+ 198.112463 155.1
[M+K]+ 219.041798 143.3
[M+H-H2O]+ 163.075900 128.9
[M+HCOO]- 225.076841 159.4
[M+CH3COO]- 239.092491 183.0
[M+Na-2H]- 201.053306 140.1
[M]+ 180.07809142 139.4
[M]- 180.07918858 139.4
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