CID 81744

2-hydroxy-5-methylisophthalaldehyde

Structural Information

Molecular Formula
C9H8O3
SMILES
CC1=CC(=C(C(=C1)C=O)O)C=O
InChI
InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3
InChIKey
ZBOUXALQDLLARY-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

329
Patents

164.04735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 131.5
[M+Na]+ 187.03657 144.8
[M+NH4]+ 182.08117 139.2
[M+K]+ 203.01051 139.1
[M-H]- 163.04007 132.6
[M+Na-2H]- 185.02202 137.5
[M]+ 164.04680 133.6
[M]- 164.04790 133.6
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