CID 596811

2,4-dihydroxy-3,6-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=CC(=C(C(=C1C=O)O)C)O
InChI
InChI=1S/C9H10O3/c1-5-3-8(11)6(2)9(12)7(5)4-10/h3-4,11-12H,1-2H3
InChIKey
XOAAGSCMGLMPKG-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-3,6-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

20
Patents

166.06299 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 130.7
[M+Na]+ 189.05221 141.2
[M-H]- 165.05571 133.0
[M+NH4]+ 184.09681 151.0
[M+K]+ 205.02615 138.6
[M+H-H2O]+ 149.06025 126.3
[M+HCOO]- 211.06119 153.1
[M+CH3COO]- 225.07684 176.1
[M+Na-2H]- 187.03766 135.3
[M]+ 166.06244 132.1
[M]- 166.06354 132.1
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