CID 606648

2,5-dimethoxyterephthalaldehyde

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC(=C(C=C1C=O)OC)C=O
InChI
InChI=1S/C10H10O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-6H,1-2H3
InChIKey
YSIIHTHHMPYKFP-UHFFFAOYSA-N
Compound name
2,5-dimethoxyterephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

607
Patents

194.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 135.7
[M+Na]+ 217.047118 145.9
[M-H]- 193.050624 140.3
[M+NH4]+ 212.091723 155.8
[M+K]+ 233.021058 144.8
[M+H-H2O]+ 177.055160 130.1
[M+HCOO]- 239.056101 161.3
[M+CH3COO]- 253.071751 184.2
[M+Na-2H]- 215.032566 141.6
[M]+ 194.05735142 141.6
[M]- 194.05844858 141.6
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