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

27
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 134.2
[M+Na]+ 203.06786 144.3
[M-H]- 179.07136 138.9
[M+NH4]+ 198.11246 155.1
[M+K]+ 219.04180 143.3
[M+H-H2O]+ 163.07590 128.9
[M+HCOO]- 225.07684 159.4
[M+CH3COO]- 239.09249 183.0
[M+Na-2H]- 201.05331 140.1
[M]+ 180.07809 139.4
[M]- 180.07919 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