CID 80395

2,4-dihydroxy-3-methylbenzaldehyde

Structural Information

Molecular Formula
C8H8O3
SMILES
CC1=C(C=CC(=C1O)C=O)O
InChI
InChI=1S/C8H8O3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-4,10-11H,1H3
InChIKey
AOPMHYFEQDBXPZ-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

556
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