CID 345554

2-hydroxyisophthalaldehyde

Structural Information

Molecular Formula
C8H6O3
SMILES
C1=CC(=C(C(=C1)C=O)O)C=O
InChI
InChI=1S/C8H6O3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-5,11H
InChIKey
JJOPQMAMJLOGFB-UHFFFAOYSA-N
Compound name
2-hydroxybenzene-1,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

165
Patents

150.0317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 127.4
[M+Na]+ 173.02092 140.6
[M+NH4]+ 168.06552 135.3
[M+K]+ 188.99486 134.8
[M-H]- 149.02442 128.5
[M+Na-2H]- 171.00637 133.9
[M]+ 150.03115 129.5
[M]- 150.03225 129.5
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