CID 458186

2,6-dihydroxy-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=CC(=C(C(=C1)O)C=O)O
InChI
InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3
InChIKey
JASONGFGOLHLGB-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

312
Patents

152.04735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 128.3
[M+Na]+ 175.03657 141.2
[M+NH4]+ 170.08117 136.0
[M+K]+ 191.01051 136.1
[M-H]- 151.04007 129.1
[M+Na-2H]- 173.02202 134.1
[M]+ 152.04680 130.2
[M]- 152.04790 130.2
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